5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide

C20H16N4O — CID 137375650

IUPAC5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3ccccc3n2)nn1-c1ccccc1
InChIInChI=1S/C20H16N4O/c1-14-13-18(23-24(14)16-8-3-2-4-9-16)20(25)22-19-12-11-15-7-5-6-10-17(15)21-19/h2-13H,1H3,(H,21,22,25)
InChIKeyNWFWVRLSIWWFKZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.98
Rot. Bonds3

About 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide

5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide (PubChem CID 137375650) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide
PubChem CID137375650
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3ccccc3n2)nn1-c1ccccc1
InChIInChI=1S/C20H16N4O/c1-14-13-18(23-24(14)16-8-3-2-4-9-16)20(25)22-19-12-11-15-7-5-6-10-17(15)21-19/h2-13H,1H3,(H,21,22,25)
InChIKeyNWFWVRLSIWWFKZ-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide (CID 137375650) is 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3ccccc3n2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide?
The InChIKey is NWFWVRLSIWWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-13-18(23-24(14)16-8-3-2-4-9-16)20(25)22-19-12-11-15-7-5-6-10-17(15)21-19/h2-13H,1H3,(H,21,22,25).
What are the key properties of 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide?
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 137375650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).