5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide

C13H10ClN5O — CID 11492993

IUPAC5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C13H10ClN5O/c14-8-2-3-10-7(5-8)1-4-11(17-10)18-13-9(12(15)20)6-16-19-13/h1-6H,(H2,15,20)(H2,16,17,18,19)
InChIKeyKIHIMPKNQUPHHQ-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.45
Rot. Bonds3

About 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide

5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 11492993) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
PubChem CID11492993
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1Nc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C13H10ClN5O/c14-8-2-3-10-7(5-8)1-4-11(17-10)18-13-9(12(15)20)6-16-19-13/h1-6H,(H2,15,20)(H2,16,17,18,19)
InChIKeyKIHIMPKNQUPHHQ-UHFFFAOYSA-N
XLogP2.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide (CID 11492993) is 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1Nc1ccc2cc(Cl)ccc2n1.
What is the InChIKey of 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide?
The InChIKey is KIHIMPKNQUPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-8-2-3-10-7(5-8)1-4-11(17-10)18-13-9(12(15)20)6-16-19-13/h1-6H,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide?
5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloroquinolin-2-yl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 11492993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).