1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole

C202H303F3N16O6 — CID 159446849

IUPAC1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
SMILESCC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)CCc1ccccc1.CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)Cn1cc(C(C)C)cn1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1cnc(C(C)C)nc1.CCCNC(=O)c1cccc(C(C)C)c1.CCCn1cc(C(C)C)cn1.CCc1cccc(C(C)C)c1.COCc1ccc(C(C)C)cc1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cn1
InChIInChI=1S/C15H23N.C13H18FNO.C13H16N2.C13H19NO.C13H20.C12H16O2.C11H20N2O.C11H20N2.C11H16O.2C11H16.2C10H13F.C10H18N2.C10H16N2.C10H14.C9H16N2.C9H13N/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11;1-4-8-14-13(15)12-7-5-6-11(9-12)10(2)3;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-10(2)8-9-11-6-4-3-5-7-11;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-9(2)8-10-6-4-3-5-7-10;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)9-5-4-8(3)10-6-9/h6-8,11,13H,3-5,9-10,12H2,1-2H3;5-9H,1-4H3,(H,15,16);4-10H,1-3H3;5-7,9-10H,4,8H2,1-3H3,(H,14,15);6-10H,1-5H3;4-5,8-9H,3,6-7H2,1-2H3;6-7,9H,8H2,1-5H3;7-10H,5-6H2,1-4H3;4-7,9H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;5,7-9H,6H2,1-4H3;5-8H,1-4H3;3-7,9H,8H2,1-2H3;6-8H,4-5H2,1-3H3;4-7H,1-3H3
InChIKeyLSWCLFBBRDXNPV-UHFFFAOYSA-N
MW3108.75 g/mol
LogP55.26
Rot. Bonds41

About 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole

1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole (PubChem CID 159446849) has the molecular formula C202H303F3N16O6 and a molecular weight of 3108.75 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
PubChem CID159446849
Molecular FormulaC202H303F3N16O6
Molecular Weight3108.75 g/mol
Exact Mass3106.38
IUPAC Name1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole
SMILESCC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)CCc1ccccc1.CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)Cn1cc(C(C)C)cn1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1cnc(C(C)C)nc1.CCCNC(=O)c1cccc(C(C)C)c1.CCCn1cc(C(C)C)cn1.CCc1cccc(C(C)C)c1.COCc1ccc(C(C)C)cc1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cn1
InChIInChI=1S/C15H23N.C13H18FNO.C13H16N2.C13H19NO.C13H20.C12H16O2.C11H20N2O.C11H20N2.C11H16O.2C11H16.2C10H13F.C10H18N2.C10H16N2.C10H14.C9H16N2.C9H13N/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11;1-4-8-14-13(15)12-7-5-6-11(9-12)10(2)3;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-10(2)8-9-11-6-4-3-5-7-11;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-9(2)8-10-6-4-3-5-7-10;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)9-5-4-8(3)10-6-9/h6-8,11,13H,3-5,9-10,12H2,1-2H3;5-9H,1-4H3,(H,15,16);4-10H,1-3H3;5-7,9-10H,4,8H2,1-3H3,(H,14,15);6-10H,1-5H3;4-5,8-9H,3,6-7H2,1-2H3;6-7,9H,8H2,1-5H3;7-10H,5-6H2,1-4H3;4-7,9H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;5,7-9H,6H2,1-4H3;5-8H,1-4H3;3-7,9H,8H2,1-2H3;6-8H,4-5H2,1-3H3;4-7H,1-3H3
InChIKeyLSWCLFBBRDXNPV-UHFFFAOYSA-N
XLogP55.26
TPSA226.13 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003108.75
LogP ≤ 555.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
CID 159405018
(2S)-3-(4-chloropyrazol-1-yl)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropyl]-2-methylpropanamide
CID 92582222
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-fluoro-4-methylbenzamide
CID 17450089
6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 67070349
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 51931428
N-[2-(4-fluorophenyl)-2-methylpropyl]-15-propyl-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
CID 155993743
N-[2-(4-fluorophenyl)ethyl]-15-(3-methylbutyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
CID 110072400
N-[2-(2-methylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18114578
2-chloro-6-[2-[1-[(2S)-3-[[1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]pyridine-3-carboxylic acid
CID 87259364
1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(2-fluorophenyl)-3-(3-propan-2-ylphenoxy)propyl]piperazine
CID 46068902
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole?
The IUPAC name of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole (CID 159446849) is 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole.
What is the SMILES notation for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole?
The canonical SMILES for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole is CC(C)(C)n1ccc(-c2ccccc2)n1.CC(C)CCc1ccccc1.CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1ccn(C(C)(C)C)n1.CC(C)Cc1ccccc1.CC(C)Cn1cc(C(C)C)cn1.CC(C)NC(=O)c1ccc(C(C)C)cc1F.CC(C)c1ccc2c(c1)OCCCO2.CC(C)c1cccc(CN2CCCCC2)c1.CC(C)c1ccccc1C(C)(C)C.CC(C)c1cnc(C(C)C)nc1.CCCNC(=O)c1cccc(C(C)C)c1.CCCn1cc(C(C)C)cn1.CCc1cccc(C(C)C)c1.COCc1ccc(C(C)C)cc1.Cc1cc(F)cc(C(C)C)c1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)cn1.
What is the InChIKey of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole?
The InChIKey is LSWCLFBBRDXNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C13H18FNO.C13H16N2.C13H19NO.C13H20.C12H16O2.C11H20N2O.C11H20N2.C11H16O.2C11H16.2C10H13F.C10H18N2.C10H16N2.C10H14.C9H16N2.C9H13N/c1-13(2)15-8-6-7-14(11-15)12-16-9-4-3-5-10-16;1-8(2)10-5-6-11(12(14)7-10)13(16)15-9(3)4;1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11;1-4-8-14-13(15)12-7-5-6-11(9-12)10(2)3;1-10(2)11-8-6-7-9-12(11)13(3,4)5;1-9(2)10-4-5-11-12(8-10)14-7-3-6-13-11;1-9(2)8-14-10-6-7-13(12-10)11(3,4)5;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-10(2)8-9-11-6-4-3-5-7-11;1-4-10-6-5-7-11(8-10)9(2)3;1-7(2)9-4-8(3)5-10(11)6-9;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)6-12-7-10(5-11-12)9(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-9(2)8-10-6-4-3-5-7-10;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)9-5-4-8(3)10-6-9/h6-8,11,13H,3-5,9-10,12H2,1-2H3;5-9H,1-4H3,(H,15,16);4-10H,1-3H3;5-7,9-10H,4,8H2,1-3H3,(H,14,15);6-10H,1-5H3;4-5,8-9H,3,6-7H2,1-2H3;6-7,9H,8H2,1-5H3;7-10H,5-6H2,1-4H3;4-7,9H,8H2,1-3H3;3-7,10H,8-9H2,1-2H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;5,7-9H,6H2,1-4H3;5-8H,1-4H3;3-7,9H,8H2,1-2H3;6-8H,4-5H2,1-3H3;4-7H,1-3H3.
What are the key properties of 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole?
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole has a molecular weight of 3108.75 g/mol, XLogP of 55.26, 41 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethyl-3-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;1-fluoro-3-methyl-5-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;1-[(3-propan-2-ylphenyl)methyl]piperidine;3-propan-2-yl-N-propylbenzamide;4-propan-2-yl-1-propylpyrazole is sourced from PubChem (CID 159446849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).