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

C20H26N4O5 — CID 118714266

IUPAC4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(OC)CC1
InChIInChI=1S/C20H26N4O5/c1-27-13-9-7-12(8-10-13)22-20(26)18-14(11-21-24-18)23-19(25)17-15(28-2)5-4-6-16(17)29-3/h4-6,11-13H,7-10H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyLFOUNMWLSVHIGS-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.37
Rot. Bonds7

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

4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714266) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714266
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(OC)CC1
InChIInChI=1S/C20H26N4O5/c1-27-13-9-7-12(8-10-13)22-20(26)18-14(11-21-24-18)23-19(25)17-15(28-2)5-4-6-16(17)29-3/h4-6,11-13H,7-10H2,1-3H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyLFOUNMWLSVHIGS-UHFFFAOYSA-N
XLogP2.37
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714266) is 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(OC)CC1.
What is the InChIKey of 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LFOUNMWLSVHIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-27-13-9-7-12(8-10-13)22-20(26)18-14(11-21-24-18)23-19(25)17-15(28-2)5-4-6-16(17)29-3/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-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).