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

C92H148N12O12 — CID 157127822

IUPACN-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCC(C)Cn1nc(C(=O)N[C@@H](CCC2CCCCC2)CN(C)CCOC)cc1-c1c(OC)cccc1OC.COCCN(C)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C(C)C(C)C)n1.COCCN(C)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
InChIInChI=1S/2C31H50N4O4.C30H48N4O4/c1-22(2)23(3)35-27(30-28(38-6)14-11-15-29(30)39-7)20-26(33-35)31(36)32-25(21-34(4)18-19-37-5)17-16-24-12-9-8-10-13-24;1-7-23(2)21-35-27(30-28(38-5)14-11-15-29(30)39-6)20-26(33-35)31(36)32-25(22-34(3)18-19-37-4)17-16-24-12-9-8-10-13-24;1-22(2)20-34-26(29-27(37-5)13-10-14-28(29)38-6)19-25(32-34)30(35)31-24(21-33(3)17-18-36-4)16-15-23-11-8-7-9-12-23/h11,14-15,20,22-25H,8-10,12-13,16-19,21H2,1-7H3,(H,32,36);11,14-15,20,23-25H,7-10,12-13,16-19,21-22H2,1-6H3,(H,32,36);10,13-14,19,22-24H,7-9,11-12,15-18,20-21H2,1-6H3,(H,31,35)/t2*23?,25-;24-/m000/s1
InChIKeyAISFAJBSZAXBBM-XMCGMSDBSA-N
MW1614.27 g/mol
LogP16.73
Rot. Bonds46

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

N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 157127822) has the molecular formula C92H148N12O12 and a molecular weight of 1614.27 g/mol. Its IUPAC name is N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID157127822
Molecular FormulaC92H148N12O12
Molecular Weight1614.27 g/mol
Exact Mass1613.13
IUPAC NameN-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCC(C)Cn1nc(C(=O)N[C@@H](CCC2CCCCC2)CN(C)CCOC)cc1-c1c(OC)cccc1OC.COCCN(C)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C(C)C(C)C)n1.COCCN(C)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
InChIInChI=1S/2C31H50N4O4.C30H48N4O4/c1-22(2)23(3)35-27(30-28(38-6)14-11-15-29(30)39-7)20-26(33-35)31(36)32-25(21-34(4)18-19-37-5)17-16-24-12-9-8-10-13-24;1-7-23(2)21-35-27(30-28(38-5)14-11-15-29(30)39-6)20-26(33-35)31(36)32-25(22-34(3)18-19-37-4)17-16-24-12-9-8-10-13-24;1-22(2)20-34-26(29-27(37-5)13-10-14-28(29)38-6)19-25(32-34)30(35)31-24(21-33(3)17-18-36-4)16-15-23-11-8-7-9-12-23/h11,14-15,20,22-25H,8-10,12-13,16-19,21H2,1-7H3,(H,32,36);11,14-15,20,23-25H,7-10,12-13,16-19,21-22H2,1-6H3,(H,32,36);10,13-14,19,22-24H,7-9,11-12,15-18,20-21H2,1-6H3,(H,31,35)/t2*23?,25-;24-/m000/s1
InChIKeyAISFAJBSZAXBBM-XMCGMSDBSA-N
XLogP16.73
TPSA233.55 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.27
LogP ≤ 516.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide (CID 157127822) is N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide is CCC(C)Cn1nc(C(=O)N[C@@H](CCC2CCCCC2)CN(C)CCOC)cc1-c1c(OC)cccc1OC.COCCN(C)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(C(C)C(C)C)n1.COCCN(C)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1.
What is the InChIKey of N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is AISFAJBSZAXBBM-XMCGMSDBSA-N. The full InChI is InChI=1S/2C31H50N4O4.C30H48N4O4/c1-22(2)23(3)35-27(30-28(38-6)14-11-15-29(30)39-7)20-26(33-35)31(36)32-25(21-34(4)18-19-37-5)17-16-24-12-9-8-10-13-24;1-7-23(2)21-35-27(30-28(38-5)14-11-15-29(30)39-6)20-26(33-35)31(36)32-25(22-34(3)18-19-37-4)17-16-24-12-9-8-10-13-24;1-22(2)20-34-26(29-27(37-5)13-10-14-28(29)38-6)19-25(32-34)30(35)31-24(21-33(3)17-18-36-4)16-15-23-11-8-7-9-12-23/h11,14-15,20,22-25H,8-10,12-13,16-19,21H2,1-7H3,(H,32,36);11,14-15,20,23-25H,7-10,12-13,16-19,21-22H2,1-6H3,(H,32,36);10,13-14,19,22-24H,7-9,11-12,15-18,20-21H2,1-6H3,(H,31,35)/t2*23?,25-;24-/m000/s1.
What are the key properties of N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 1614.27 g/mol, XLogP of 16.73, 46 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide;N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 157127822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).