N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide

C16H14N4O — CID 17409371

IUPACN-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)nc1
InChIInChI=1S/C16H14N4O/c1-11-7-8-15(17-10-11)18-16(21)14-9-13(19-20-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)(H,17,18,21)
InChIKeyABAZKPOXNGNZJO-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.03
Rot. Bonds3

About N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 17409371) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID17409371
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)nc1
InChIInChI=1S/C16H14N4O/c1-11-7-8-15(17-10-11)18-16(21)14-9-13(19-20-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)(H,17,18,21)
InChIKeyABAZKPOXNGNZJO-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 17409371) is N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ABAZKPOXNGNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-7-8-15(17-10-11)18-16(21)14-9-13(19-20-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 278.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 17409371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).