N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C19H17FN4O3 — CID 46942555

IUPACN-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)[nH]n1
InChIInChI=1S/C19H17FN4O3/c1-11(25)21-13-4-6-14(7-5-13)22-19(26)17-10-16(23-24-17)15-9-12(20)3-8-18(15)27-2/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyWMFUHWFJDWQMIK-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.44
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46942555) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46942555
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)[nH]n1
InChIInChI=1S/C19H17FN4O3/c1-11(25)21-13-4-6-14(7-5-13)22-19(26)17-10-16(23-24-17)15-9-12(20)3-8-18(15)27-2/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyWMFUHWFJDWQMIK-UHFFFAOYSA-N
XLogP3.44
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46942555) is N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)[nH]n1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WMFUHWFJDWQMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-11(25)21-13-4-6-14(7-5-13)22-19(26)17-10-16(23-24-17)15-9-12(20)3-8-18(15)27-2/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(5-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46942555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).