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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Related Compounds

5-amino-N-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063067
N-(3-(3-chlorophenyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851197
1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375563
5-chloro-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375595
5-(dimethylamino)-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375614
N-[3-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enamide
CID 122186132
CID 134816476
CID 134816476
CID 134816477
CID 134816477
3-[(6-chloroquinolin-3-yl)amino]-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89470767
N-[2-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enamide
CID 122186131
US10214509, Example 196
CID 139268654
5-amino-1-(4-chloro-2-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 118738376

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).