1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide

C17H16N4O — CID 71720844

IUPAC1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccccc3)n(C)n2)n1
InChIInChI=1S/C17H16N4O/c1-12-7-6-10-16(18-12)19-17(22)14-11-15(21(2)20-14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,18,19,22)
InChIKeyUBJXTDHRKPNRTF-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.04
Rot. Bonds3

About 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide

1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide (PubChem CID 71720844) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
PubChem CID71720844
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccccc3)n(C)n2)n1
InChIInChI=1S/C17H16N4O/c1-12-7-6-10-16(18-12)19-17(22)14-11-15(21(2)20-14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,18,19,22)
InChIKeyUBJXTDHRKPNRTF-UHFFFAOYSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide (CID 71720844) is 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccccc3)n(C)n2)n1.
What is the InChIKey of 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The InChIKey is UBJXTDHRKPNRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-7-6-10-16(18-12)19-17(22)14-11-15(21(2)20-14)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,18,19,22).
What are the key properties of 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71720844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).