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

C19H24N4O4 — CID 118714282

IUPACN-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
InChIInChI=1S/C19H24N4O4/c1-26-14-9-6-10-15(27-2)16(14)18(24)22-13-11-20-23-17(13)19(25)21-12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyRRYFECCPZIZXEK-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.74
Rot. Bonds6

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

N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 118714282) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID118714282
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
InChIInChI=1S/C19H24N4O4/c1-26-14-9-6-10-15(27-2)16(14)18(24)22-13-11-20-23-17(13)19(25)21-12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyRRYFECCPZIZXEK-UHFFFAOYSA-N
XLogP2.74
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 118714282) is N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is RRYFECCPZIZXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-26-14-9-6-10-15(27-2)16(14)18(24)22-13-11-20-23-17(13)19(25)21-12-7-4-3-5-8-12/h6,9-12H,3-5,7-8H2,1-2H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).