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

C21H28N4O6 — CID 118714267

IUPACN-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cc(OC)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCC(OC)CC2)c(OC)c1
InChIInChI=1S/C21H28N4O6/c1-28-13-7-5-12(6-8-13)23-21(27)19-15(11-22-25-19)24-20(26)18-16(30-3)9-14(29-2)10-17(18)31-4/h9-13H,5-8H2,1-4H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyIJYCUHJDYAFEOT-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.38
Rot. Bonds8

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

N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 118714267) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID118714267
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC NameN-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cc(OC)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCC(OC)CC2)c(OC)c1
InChIInChI=1S/C21H28N4O6/c1-28-13-7-5-12(6-8-13)23-21(27)19-15(11-22-25-19)24-20(26)18-16(30-3)9-14(29-2)10-17(18)31-4/h9-13H,5-8H2,1-4H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyIJYCUHJDYAFEOT-UHFFFAOYSA-N
XLogP2.38
TPSA123.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 118714267) is N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is COc1cc(OC)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCC(OC)CC2)c(OC)c1.
What is the InChIKey of N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is IJYCUHJDYAFEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6/c1-28-13-7-5-12(6-8-13)23-21(27)19-15(11-22-25-19)24-20(26)18-16(30-3)9-14(29-2)10-17(18)31-4/h9-13H,5-8H2,1-4H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-4-[(2,4,6-trimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).