N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide

C20H26N4O4 — CID 118714253

IUPACN-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1CC(=O)Nc1cn[nH]c1C(=O)NC1CCC(OC)CC1
InChIInChI=1S/C20H26N4O4/c1-27-15-9-7-14(8-10-15)22-20(26)19-16(12-21-24-19)23-18(25)11-13-5-3-4-6-17(13)28-2/h3-6,12,14-15H,7-11H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyYTFORVXPFIUVAF-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.29
Rot. Bonds7

About N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide

N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 118714253) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
PubChem CID118714253
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1CC(=O)Nc1cn[nH]c1C(=O)NC1CCC(OC)CC1
InChIInChI=1S/C20H26N4O4/c1-27-15-9-7-14(8-10-15)22-20(26)19-16(12-21-24-19)23-18(25)11-13-5-3-4-6-17(13)28-2/h3-6,12,14-15H,7-11H2,1-2H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyYTFORVXPFIUVAF-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazole diamide, 31
CID 11210632
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
N-benzyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 101882339
N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714282
N-cycloheptyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714283
N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714288
4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714293
4-[(2,6-dimethoxybenzoyl)amino]-N-pentyl-1H-pyrazole-5-carboxamide
CID 118714297
4-[(2,6-dimethoxybenzoyl)amino]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
CID 118714298
1H-Pyrazole-3-carboxylic acid [(1,1-dimethyl-propylcarbamoyl)-(3-methoxy-phenyl)-methyl]-(3-methoxy-phenyl)-amide
CID 650280
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714252
4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714255

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide (CID 118714253) is N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide is COc1ccccc1CC(=O)Nc1cn[nH]c1C(=O)NC1CCC(OC)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is YTFORVXPFIUVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-15-9-7-14(8-10-15)22-20(26)19-16(12-21-24-19)23-18(25)11-13-5-3-4-6-17(13)28-2/h3-6,12,14-15H,7-11H2,1-2H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-4-[[2-(2-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).