5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

C50H58N10O8 — CID 163600712

IUPAC5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c(N)c2C(N)=O)cc1.COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/2C25H29N5O4/c2*1-34-20-5-3-2-4-19(20)25(33)28-14-15-6-8-16(9-7-15)22-21(24(27)32)23(26)30(29-22)17-10-12-18(31)13-11-17/h2*2-9,17-18,31H,10-14,26H2,1H3,(H2,27,32)(H,28,33)
InChIKeyGXJKJOVCEQGPEM-UHFFFAOYSA-N
MW927.08 g/mol
LogP5.29
Rot. Bonds14

About 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide

5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (PubChem CID 163600712) has the molecular formula C50H58N10O8 and a molecular weight of 927.08 g/mol. Its IUPAC name is 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
PubChem CID163600712
Molecular FormulaC50H58N10O8
Molecular Weight927.08 g/mol
Exact Mass926.44
IUPAC Name5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c(N)c2C(N)=O)cc1.COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/2C25H29N5O4/c2*1-34-20-5-3-2-4-19(20)25(33)28-14-15-6-8-16(9-7-15)22-21(24(27)32)23(26)30(29-22)17-10-12-18(31)13-11-17/h2*2-9,17-18,31H,10-14,26H2,1H3,(H2,27,32)(H,28,33)
InChIKeyGXJKJOVCEQGPEM-UHFFFAOYSA-N
XLogP5.29
TPSA290.98 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500927.08
LogP ≤ 55.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

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Related Compounds

5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S,5R)-1-methyl-3-bicyclo[3.1.0]hexanyl]pyrazole-4-carboxamide
CID 163472130
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;ethane;toluene
CID 145332683
5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
N-[[4-[1-(4-hydroxycyclohexyl)pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 154998779
5-amino-1-butan-2-yl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248258
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 162719658
N-[[4-[5-amino-4-(aminomethyl)-1-(4,4-difluorocyclohexyl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 170414753

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide (CID 163600712) is 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c(N)c2C(N)=O)cc1.COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(O)CC3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is GXJKJOVCEQGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29N5O4/c2*1-34-20-5-3-2-4-19(20)25(33)28-14-15-6-8-16(9-7-15)22-21(24(27)32)23(26)30(29-22)17-10-12-18(31)13-11-17/h2*2-9,17-18,31H,10-14,26H2,1H3,(H2,27,32)(H,28,33).
What are the key properties of 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide?
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 927.08 g/mol, XLogP of 5.29, 14 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 163600712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).