N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide

C20H26N4O4 — CID 118714288

IUPACN-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NCC1CCCCC1
InChIInChI=1S/C20H26N4O4/c1-27-15-9-6-10-16(28-2)17(15)19(25)23-14-12-22-24-18(14)20(26)21-11-13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyAONDADXKJDKKDS-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.99
Rot. Bonds7

About N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide

N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 118714288) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID118714288
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NCC1CCCCC1
InChIInChI=1S/C20H26N4O4/c1-27-15-9-6-10-16(28-2)17(15)19(25)23-14-12-22-24-18(14)20(26)21-11-13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyAONDADXKJDKKDS-UHFFFAOYSA-N
XLogP2.99
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
CID 118714297
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 59733368
4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 24889469
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59733301
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
4-[(2-chloro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862803
N-(cyclohexylmethyl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824298
N-cyclohexyl-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2-methoxyethanol
CID 143263328
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 160503573
N-[5-(cyclopropylmethylcarbamoyl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide
CID 59733404
N-cyclohexyl-4-[(2-ethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;methanol
CID 143263304
N-cyclohexyl-4-[(4-methoxythiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 66978495

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 118714288) is N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is AONDADXKJDKKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-15-9-6-10-16(28-2)17(15)19(25)23-14-12-22-24-18(14)20(26)21-11-13-7-4-3-5-8-13/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).