1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine

C135H220F2N30O3 — CID 158346690

IUPAC1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
SMILESC.CC(C)Cn1cc(C(C)C)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1cnn(C2CCOCC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnn(CC2CC2(F)F)c1.CC(C)c1cnn(CC2CCN(C)CC2)c1.CC(C)c1cnn(CCN(C)C)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CCn1cc(C(C)C)cn1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C13H23N3.C13H16N2.C12H21N3O.C12H15N3.C11H18N2O.C11H18N2.C10H14F2N2.C10H19N3.C10H18N2.C9H14N2O.2C8H14N2.C7H12N2.CH4/c1-11(2)13-8-14-16(10-13)9-12-4-6-15(3)7-5-12;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)10-7-12-13(8-10)11-3-5-14-6-4-11;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-7(2)8-4-13-14(5-8)6-9-3-10(9,11)12;1-9(2)10-7-11-13(8-10)6-5-12(3)4;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-6(2)8-5-10(4)9-7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;/h8,10-12H,4-7,9H2,1-3H3;3-8,10-11H,9H2,1-2H3;9-11H,3-8H2,1-2H3;3-8,10H,9H2,1-2H3;7-9,11H,3-6H2,1-2H3;7-9,11H,3-6H2,1-2H3;4-5,7,9H,3,6H2,1-2H3;7-9H,5-6H2,1-4H3;5,7-9H,6H2,1-4H3;3-4,7,9H,5-6H2,1-2H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4-6H,1-3H3;1H4
InChIKeyGRUWAVYTJLPRAL-UHFFFAOYSA-N
MW2349.45 g/mol
LogP29.20
Rot. Bonds33

About 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine

1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine (PubChem CID 158346690) has the molecular formula C135H220F2N30O3 and a molecular weight of 2349.45 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
PubChem CID158346690
Molecular FormulaC135H220F2N30O3
Molecular Weight2349.45 g/mol
Exact Mass2347.80
IUPAC Name1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
SMILESC.CC(C)Cn1cc(C(C)C)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1cnn(C2CCOCC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnn(CC2CC2(F)F)c1.CC(C)c1cnn(CC2CCN(C)CC2)c1.CC(C)c1cnn(CCN(C)C)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CCn1cc(C(C)C)cn1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C13H23N3.C13H16N2.C12H21N3O.C12H15N3.C11H18N2O.C11H18N2.C10H14F2N2.C10H19N3.C10H18N2.C9H14N2O.2C8H14N2.C7H12N2.CH4/c1-11(2)13-8-14-16(10-13)9-12-4-6-15(3)7-5-12;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)10-7-12-13(8-10)11-3-5-14-6-4-11;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-7(2)8-4-13-14(5-8)6-9-3-10(9,11)12;1-9(2)10-7-11-13(8-10)6-5-12(3)4;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-6(2)8-5-10(4)9-7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;/h8,10-12H,4-7,9H2,1-3H3;3-8,10-11H,9H2,1-2H3;9-11H,3-8H2,1-2H3;3-8,10H,9H2,1-2H3;7-9,11H,3-6H2,1-2H3;7-9,11H,3-6H2,1-2H3;4-5,7,9H,3,6H2,1-2H3;7-9H,5-6H2,1-4H3;5,7-9H,6H2,1-4H3;3-4,7,9H,5-6H2,1-2H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4-6H,1-3H3;1H4
InChIKeyGRUWAVYTJLPRAL-UHFFFAOYSA-N
XLogP29.20
TPSA281.96 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds33
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002349.45
LogP ≤ 529.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;methane
CID 158544290
4-Tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine
CID 159341258
1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine
CID 159376609
1-cyclobutyl-4-propan-2-ylpyrazole;5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;2,6-dimethyl-4-(6-propan-2-yl-3-pyridinyl)morpholine;1-ethyl-4-propan-2-ylpyrazole;5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-ylpyridine;5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-(6-propan-2-yl-3-pyridinyl)piperazine;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanamine;2-(4-propan-2-ylpyrazol-1-yl)ethanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine
CID 160035982
1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;4-(4-propan-2-ylpyrazol-1-yl)morpholine
CID 161571245
4-Tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine
CID 161866418
4-Tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine
CID 163744178
4-Tert-butyl-1-cyclopropylpyrazole;4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole;4-tert-butyl-1-(difluoromethyl)pyrazole;2-tert-butyl-5-(3,3-dimethylazetidin-1-yl)pyridine;4-tert-butyl-1-ethylpyrazole;4-tert-butyl-1-(oxan-4-yl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;1-(4-tert-butylpyrazol-1-yl)-2-methylpropan-2-ol;4-(4-tert-butylpyrazol-1-yl)pyridine;2-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;1-(6-tert-butyl-3-pyridinyl)-4-methylpiperazine
CID 163857492
N-(cyclopropylmethyl)-N,5-dimethyl-6-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridin-3-amine;5-(4,4-difluoropiperidin-1-yl)-3-methyl-2-[1-[[(2R)-oxan-2-yl]methyl]triazol-4-yl]pyridine;ethane;ethene
CID 164856790
6-[1-amino-3-[(2-propyl-4-pyridinyl)imino]prop-1-en-2-yl]-5-fluoro-N-(oxan-4-yl)pyridin-3-amine;6-[1-amino-3-[(2-propyl-4-pyridinyl)imino]prop-1-en-2-yl]-N-(oxan-4-yl)-5-(trifluoromethyl)pyridin-3-amine;N-cyclobutyl-5-fluoro-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine;N-cyclobutyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-5-(trifluoromethyl)pyridin-3-amine;N-cyclopentyl-5-fluoro-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine;N-cyclopentyl-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-5-(trifluoromethyl)pyridin-3-amine;5-fluoro-N-(oxetan-3-yl)-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridin-3-amine;N-(oxetan-3-yl)-6-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-5-(trifluoromethyl)pyridin-3-amine
CID 168401228
1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyridinyl]-N,N-bis[[5-[1-(oxan-4-yl)pyrazol-4-yl]-2-pyridinyl]methyl]methanamine
CID 141745388
4-(Difluoromethyl)-2-propan-2-ylpyridine;1,3-di(propan-2-yl)pyrazole;4-ethyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyrimidine;1-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylpyrazole;1-(oxolan-3-yl)-4-propan-2-ylpyrazole;4-propan-2-ylpyrimidine
CID 157469082

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine (CID 158346690) is 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine is C.CC(C)Cn1cc(C(C)C)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1cnn(C2CCOCC2)c1.CC(C)c1cnn(C2COC2)c1.CC(C)c1cnn(CC2CC2(F)F)c1.CC(C)c1cnn(CC2CCN(C)CC2)c1.CC(C)c1cnn(CCN(C)C)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1cnn(Cc2ccccn2)c1.CCn1cc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine?
The InChIKey is GRUWAVYTJLPRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.C13H16N2.C12H21N3O.C12H15N3.C11H18N2O.C11H18N2.C10H14F2N2.C10H19N3.C10H18N2.C9H14N2O.2C8H14N2.C7H12N2.CH4/c1-11(2)13-8-14-16(10-13)9-12-4-6-15(3)7-5-12;1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-10(2)11-7-14-15(8-11)9-12-5-3-4-6-13-12;1-9(2)10-7-12-13(8-10)11-3-5-14-6-4-11;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-7(2)8-4-13-14(5-8)6-9-3-10(9,11)12;1-9(2)10-7-11-13(8-10)6-5-12(3)4;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)8-3-10-11(4-8)9-5-12-6-9;1-6(2)8-5-10(4)9-7(8)3;1-4-10-6-8(5-9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;/h8,10-12H,4-7,9H2,1-3H3;3-8,10-11H,9H2,1-2H3;9-11H,3-8H2,1-2H3;3-8,10H,9H2,1-2H3;7-9,11H,3-6H2,1-2H3;7-9,11H,3-6H2,1-2H3;4-5,7,9H,3,6H2,1-2H3;7-9H,5-6H2,1-4H3;5,7-9H,6H2,1-4H3;3-4,7,9H,5-6H2,1-2H3;5-6H,1-4H3;5-7H,4H2,1-3H3;4-6H,1-3H3;1H4.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine?
1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine has a molecular weight of 2349.45 g/mol, XLogP of 29.20, 33 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-[(2,2-difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;N,N-dimethyl-2-(4-propan-2-ylpyrazol-1-yl)ethanamine;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(oxan-4-yl)-4-propan-2-ylpyrazole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 158346690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).