1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide

C15H10ClN5O — CID 135354866

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide
SMILESN#Cc1cc(C(N)=O)nn1Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C15H10ClN5O/c16-11-4-10-3-9(1-2-13(10)19-7-11)8-21-12(6-17)5-14(20-21)15(18)22/h1-5,7H,8H2,(H2,18,22)
InChIKeyJMOVLPKNMJVFEV-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.10
Rot. Bonds3

About 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide

1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide (PubChem CID 135354866) has the molecular formula C15H10ClN5O and a molecular weight of 311.73 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide
PubChem CID135354866
Molecular FormulaC15H10ClN5O
Molecular Weight311.73 g/mol
Exact Mass311.06
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide
SMILESN#Cc1cc(C(N)=O)nn1Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C15H10ClN5O/c16-11-4-10-3-9(1-2-13(10)19-7-11)8-21-12(6-17)5-14(20-21)15(18)22/h1-5,7H,8H2,(H2,18,22)
InChIKeyJMOVLPKNMJVFEV-UHFFFAOYSA-N
XLogP2.10
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 135354693
4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 135354732
1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide
CID 135354581
1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 135354589
1-[(3-chloroquinolin-6-yl)methyl]-3-iodopyrazolo[4,3-c]pyridine-4-carbonitrile
CID 134178586
2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519
5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide
CID 135354689
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 134177987
methyl 5-bromo-2-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 134177944
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
1-[(3-chloroquinolin-6-yl)methyl]-3-(methoxymethyl)pyrazolo[3,4-c]pyridine-4-carbonitrile
CID 155129250
1-[(3-chloroquinolin-6-yl)methyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 155011682

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide (CID 135354866) is 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide is N#Cc1cc(C(N)=O)nn1Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide?
The InChIKey is JMOVLPKNMJVFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O/c16-11-4-10-3-9(1-2-13(10)19-7-11)8-21-12(6-17)5-14(20-21)15(18)22/h1-5,7H,8H2,(H2,18,22).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide?
1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide has a molecular weight of 311.73 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazole-3-carboxamide is sourced from PubChem (CID 135354866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).