N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C19H15FN4O2 — CID 110676242

IUPACN-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccccc2C#N)nn1C
InChIInChI=1S/C19H15FN4O2/c1-24-17(14-9-13(20)7-8-18(14)26-2)10-16(23-24)19(25)22-15-6-4-3-5-12(15)11-21/h3-10H,1-2H3,(H,22,25)
InChIKeyVHPJVLMDYXQDHU-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.36
Rot. Bonds4

About N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide

N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110676242) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110676242
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC NameN-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccccc2C#N)nn1C
InChIInChI=1S/C19H15FN4O2/c1-24-17(14-9-13(20)7-8-18(14)26-2)10-16(23-24)19(25)22-15-6-4-3-5-12(15)11-21/h3-10H,1-2H3,(H,22,25)
InChIKeyVHPJVLMDYXQDHU-UHFFFAOYSA-N
XLogP3.36
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 110676242) is N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(F)cc1-c1cc(C(=O)Nc2ccccc2C#N)nn1C.
What is the InChIKey of N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is VHPJVLMDYXQDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-24-17(14-9-13(20)7-8-18(14)26-2)10-16(23-24)19(25)22-15-6-4-3-5-12(15)11-21/h3-10H,1-2H3,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110676242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).