N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

C18H15FN4O3 — CID 47047569

IUPACN-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN4O3/c1-26-16-7-2-11(17(20)24)10-15(16)21-18(25)14-8-9-23(22-14)13-5-3-12(19)4-6-13/h2-10H,1H3,(H2,20,24)(H,21,25)
InChIKeyFKCZMKJZTYZMEC-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.37
Rot. Bonds5

About N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 47047569) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID47047569
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H15FN4O3/c1-26-16-7-2-11(17(20)24)10-15(16)21-18(25)14-8-9-23(22-14)13-5-3-12(19)4-6-13/h2-10H,1H3,(H2,20,24)(H,21,25)
InChIKeyFKCZMKJZTYZMEC-UHFFFAOYSA-N
XLogP2.37
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 47047569) is N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is COc1ccc(C(N)=O)cc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is FKCZMKJZTYZMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-26-16-7-2-11(17(20)24)10-15(16)21-18(25)14-8-9-23(22-14)13-5-3-12(19)4-6-13/h2-10H,1H3,(H2,20,24)(H,21,25).
What are the key properties of N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 47047569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).