5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide

C15H13ClN4O2 — CID 135354683

IUPAC5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)c(-c2ccc3nc(Cl)ccc3c2)c1C(N)=O
InChIInChI=1S/C15H13ClN4O2/c1-20-13(12(14(17)21)15(19-20)22-2)9-3-5-10-8(7-9)4-6-11(16)18-10/h3-7H,1-2H3,(H2,17,21)
InChIKeyWNXFYZAOAINRCY-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.40
Rot. Bonds3

About 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide

5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 135354683) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID135354683
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)c(-c2ccc3nc(Cl)ccc3c2)c1C(N)=O
InChIInChI=1S/C15H13ClN4O2/c1-20-13(12(14(17)21)15(19-20)22-2)9-3-5-10-8(7-9)4-6-11(16)18-10/h3-7H,1-2H3,(H2,17,21)
InChIKeyWNXFYZAOAINRCY-UHFFFAOYSA-N
XLogP2.40
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide (CID 135354683) is 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)c(-c2ccc3nc(Cl)ccc3c2)c1C(N)=O.
What is the InChIKey of 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is WNXFYZAOAINRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-20-13(12(14(17)21)15(19-20)22-2)9-3-5-10-8(7-9)4-6-11(16)18-10/h3-7H,1-2H3,(H2,17,21).
What are the key properties of 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide?
5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroquinolin-6-yl)-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 135354683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).