1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene

C136H213N29S — CID 162207501

IUPAC1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
SMILESCC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C10H16N2.C10H12N2.C9H14N2.C9H16N2.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.2C7H12N2.C7H10N2.C7H10S.C6H10N2/c1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6/h5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyZSJYJZBPLKPOKR-UHFFFAOYSA-N
MW2286.47 g/mol
LogP35.17
Rot. Bonds23

About 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene

1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene (PubChem CID 162207501) has the molecular formula C136H213N29S and a molecular weight of 2286.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
PubChem CID162207501
Molecular FormulaC136H213N29S
Molecular Weight2286.47 g/mol
Exact Mass2284.73
IUPAC Name1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
SMILESCC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C10H16N2.C10H12N2.C9H14N2.C9H16N2.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.2C7H12N2.C7H10N2.C7H10S.C6H10N2/c1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6/h5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyZSJYJZBPLKPOKR-UHFFFAOYSA-N
XLogP35.17
TPSA296.59 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002286.47
LogP ≤ 535.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene with MolForge

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Related Compounds

2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136213908
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 22031506
N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 68066161
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137042039
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137055649
4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056554
4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056571
4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056612
4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056631
4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137102180

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The IUPAC name of 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene (CID 162207501) is 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The canonical SMILES for 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene is CC(C)c1cccc2nccn12.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C2CC2)c1.CC(C)c1cnn(CC2CC2)c1.CCn1cc(C(C)C)cn1.CCn1cc(C(C)C)cn1.Cc1c(C(C)C)cnn1C.Cc1cnc(C(C)C)cn1.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
The InChIKey is ZSJYJZBPLKPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C10H12N2.C9H14N2.C9H16N2.2C8H14N2.C8H12N2.2C8H14N2.3C8H11N.2C7H12N2.C7H10N2.C7H10S.C6H10N2/c1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-7(2)8-5-10-11(6-8)9-3-4-9;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-5-9-7(3)4-10-8;2*1-4-10-6-8(5-9-10)7(2)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;2*1-6(2)7-4-8-9(3)5-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6/h5,7-9H,3-4,6H2,1-2H3;3-8H,1-2H3;5-7,9H,3-4H2,1-2H3;5-8H,1-4H3;2*5-6H,1-4H3;4-6H,1-3H3;2*5-7H,4H2,1-3H3;3*3-7H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene?
1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene has a molecular weight of 2286.47 g/mol, XLogP of 35.17, 23 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;1-cyclopropyl-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;bis(1-ethyl-4-propan-2-ylpyrazole);2-methyl-5-propan-2-ylpyrazine;bis(1-methyl-4-propan-2-ylpyrazole);5-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene is sourced from PubChem (CID 162207501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).