N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide

C83H121N21O9 — CID 159996008

IUPACN-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCC(C)Cn1nc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)cc1-c1c(OC)cccc1OC.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)nn1C(C)C(C)C.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)nn1CC(C)C
InChIInChI=1S/2C28H41N7O3.C27H39N7O3/c1-18(2)19(3)35-23(27-24(37-4)12-9-13-25(27)38-5)17-22(32-35)28(36)29-21(16-26-30-33-34-31-26)15-14-20-10-7-6-8-11-20;1-5-19(2)18-35-23(27-24(37-3)12-9-13-25(27)38-4)17-22(32-35)28(36)29-21(16-26-30-33-34-31-26)15-14-20-10-7-6-8-11-20;1-18(2)17-34-22(26-23(36-3)11-8-12-24(26)37-4)16-21(31-34)27(35)28-20(15-25-29-32-33-30-25)14-13-19-9-6-5-7-10-19/h9,12-13,17-21H,6-8,10-11,14-16H2,1-5H3,(H,29,36)(H,30,31,33,34);9,12-13,17,19-21H,5-8,10-11,14-16,18H2,1-4H3,(H,29,36)(H,30,31,33,34);8,11-12,16,18-20H,5-7,9-10,13-15,17H2,1-4H3,(H,28,35)(H,29,30,32,33)/t2*19?,21-;20-/m000/s1
InChIKeyOHNWOYFHDLXJRC-WAAXISCVSA-N
MW1557.02 g/mol
LogP14.27
Rot. Bonds37

About N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide

N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 159996008) has the molecular formula C83H121N21O9 and a molecular weight of 1557.02 g/mol. Its IUPAC name is N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID159996008
Molecular FormulaC83H121N21O9
Molecular Weight1557.02 g/mol
Exact Mass1555.97
IUPAC NameN-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCC(C)Cn1nc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)cc1-c1c(OC)cccc1OC.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)nn1C(C)C(C)C.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)nn1CC(C)C
InChIInChI=1S/2C28H41N7O3.C27H39N7O3/c1-18(2)19(3)35-23(27-24(37-4)12-9-13-25(27)38-5)17-22(32-35)28(36)29-21(16-26-30-33-34-31-26)15-14-20-10-7-6-8-11-20;1-5-19(2)18-35-23(27-24(37-3)12-9-13-25(27)38-4)17-22(32-35)28(36)29-21(16-26-30-33-34-31-26)15-14-20-10-7-6-8-11-20;1-18(2)17-34-22(26-23(36-3)11-8-12-24(26)37-4)16-21(31-34)27(35)28-20(15-25-29-32-33-30-25)14-13-19-9-6-5-7-10-19/h9,12-13,17-21H,6-8,10-11,14-16H2,1-5H3,(H,29,36)(H,30,31,33,34);9,12-13,17,19-21H,5-8,10-11,14-16,18H2,1-4H3,(H,29,36)(H,30,31,33,34);8,11-12,16,18-20H,5-7,9-10,13-15,17H2,1-4H3,(H,28,35)(H,29,30,32,33)/t2*19?,21-;20-/m000/s1
InChIKeyOHNWOYFHDLXJRC-WAAXISCVSA-N
XLogP14.27
TPSA359.52 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001557.02
LogP ≤ 514.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-oxo-5-piperidin-1-yl-1-(2H-tetrazol-5-ylamino)pentan-3-yl]pyrazole-3-carboxamide
CID 129226391
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-oxo-5-piperidin-1-yl-1-(2H-tetrazol-5-ylmethylamino)pentan-3-yl]pyrazole-3-carboxamide
CID 129226850
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-oxo-5-piperidin-1-yl-1-[2-(2H-tetrazol-5-yl)ethylamino]pentan-3-yl]pyrazole-3-carboxamide
CID 129226855
5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-pentan-3-ylpyrazole-3-carbonyl]amino]pentanoic acid;1-cyclopentyl-N-[4-(2,6-dioxopiperidin-1-yl)-1-(2H-tetrazol-5-yl)butan-2-yl]-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 156116774
(3S)-N-cyclobutyl-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-propylpyrazol-3-yl]-formylamino]pentanamide;1-cyclopentyl-N-[(2S)-4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2H-tetrazol-5-yl)butan-2-yl]-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 156116832
N-[1-(cyclobutylamino)-5-cyclohexyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-propylpyrazole-3-carboxamide;1-cyclopentyl-N-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-1-(2H-tetrazol-5-yl)butan-2-yl]-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 156116834
5-(2,6-dimethoxyphenyl)-N-[(1S)-3-methyl-1-(2H-tetrazol-5-yl)butyl]-1-naphthalen-1-ylpyrazole-3-carboxamide
CID 54755553
N-[(S)-cyclohexyl(2H-tetrazol-5-yl)methyl]-5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxamide
CID 54755554
5-(2,6-dimethoxyphenyl)-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]-1-naphthalen-1-ylpyrazole-3-carboxamide
CID 76187845
N-[cyclohexyl(2H-tetrazol-5-yl)methyl]-5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxamide
CID 76187846
N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 118568823
N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568833

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide (CID 159996008) is N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide is CCC(C)Cn1nc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)cc1-c1c(OC)cccc1OC.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)nn1C(C)C(C)C.COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CCC2CCCCC2)Cc2nn[nH]n2)nn1CC(C)C.
What is the InChIKey of N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is OHNWOYFHDLXJRC-WAAXISCVSA-N. The full InChI is InChI=1S/2C28H41N7O3.C27H39N7O3/c1-18(2)19(3)35-23(27-24(37-4)12-9-13-25(27)38-5)17-22(32-35)28(36)29-21(16-26-30-33-34-31-26)15-14-20-10-7-6-8-11-20;1-5-19(2)18-35-23(27-24(37-3)12-9-13-25(27)38-4)17-22(32-35)28(36)29-21(16-26-30-33-34-31-26)15-14-20-10-7-6-8-11-20;1-18(2)17-34-22(26-23(36-3)11-8-12-24(26)37-4)16-21(31-34)27(35)28-20(15-25-29-32-33-30-25)14-13-19-9-6-5-7-10-19/h9,12-13,17-21H,6-8,10-11,14-16H2,1-5H3,(H,29,36)(H,30,31,33,34);9,12-13,17,19-21H,5-8,10-11,14-16,18H2,1-4H3,(H,29,36)(H,30,31,33,34);8,11-12,16,18-20H,5-7,9-10,13-15,17H2,1-4H3,(H,28,35)(H,29,30,32,33)/t2*19?,21-;20-/m000/s1.
What are the key properties of N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 1557.02 g/mol, XLogP of 14.27, 37 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-(2H-tetrazol-5-yl)butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 159996008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).