N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide

C14H12N4O — CID 76850781

IUPACN-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc2ccccc2cc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C14H12N4O/c1-9-13(17-14(19)12-6-7-15-18-12)8-10-4-2-3-5-11(10)16-9/h2-8H,1H3,(H,15,18)(H,17,19)
InChIKeyTUSRJYBWNQVVKA-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.52
Rot. Bonds2

About N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide

N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 76850781) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID76850781
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc2ccccc2cc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C14H12N4O/c1-9-13(17-14(19)12-6-7-15-18-12)8-10-4-2-3-5-11(10)16-9/h2-8H,1H3,(H,15,18)(H,17,19)
InChIKeyTUSRJYBWNQVVKA-UHFFFAOYSA-N
XLogP2.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide (CID 76850781) is N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide is Cc1nc2ccccc2cc1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is TUSRJYBWNQVVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-13(17-14(19)12-6-7-15-18-12)8-10-4-2-3-5-11(10)16-9/h2-8H,1H3,(H,15,18)(H,17,19).
What are the key properties of N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide?
N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 76850781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).