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

C20H26N4O4 — CID 118714293

IUPAC4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C20H26N4O4/c1-12-7-9-13(10-8-12)22-20(26)18-14(11-21-24-18)23-19(25)17-15(27-2)5-4-6-16(17)28-3/h4-6,11-13H,7-10H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyITNLMOLGRLALKQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.99
Rot. Bonds6

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

4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714293) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714293
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C20H26N4O4/c1-12-7-9-13(10-8-12)22-20(26)18-14(11-21-24-18)23-19(25)17-15(27-2)5-4-6-16(17)28-3/h4-6,11-13H,7-10H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyITNLMOLGRLALKQ-UHFFFAOYSA-N
XLogP2.99
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714293) is 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ITNLMOLGRLALKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-12-7-9-13(10-8-12)22-20(26)18-14(11-21-24-18)23-19(25)17-15(27-2)5-4-6-16(17)28-3/h4-6,11-13H,7-10H2,1-3H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide?
4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methylcyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).