3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide

C19H20ClN5O — CID 130284430

IUPAC3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCCCC2)nc1Nc1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C19H20ClN5O/c20-13-7-6-12-8-14(10-22-17(12)9-13)23-19-16(18(21)26)11-25(24-19)15-4-2-1-3-5-15/h6-11,15H,1-5H2,(H2,21,26)(H,23,24)
InChIKeyBEIMTKSPHCKAJG-UHFFFAOYSA-N
MW369.86 g/mol
LogP4.43
Rot. Bonds4

About 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide

3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide (PubChem CID 130284430) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide
PubChem CID130284430
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCCCC2)nc1Nc1cnc2cc(Cl)ccc2c1
InChIInChI=1S/C19H20ClN5O/c20-13-7-6-12-8-14(10-22-17(12)9-13)23-19-16(18(21)26)11-25(24-19)15-4-2-1-3-5-15/h6-11,15H,1-5H2,(H2,21,26)(H,23,24)
InChIKeyBEIMTKSPHCKAJG-UHFFFAOYSA-N
XLogP4.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorobenzoyl)amino]-1-cyclopentylpyrazole-4-carboxamide
CID 166434479
1-cyclohexyl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)anilino]pyrazole-4-carboxamide
CID 130284308
methyl 2-[4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]phenyl]acetate
CID 144556423
3-(4-chloroanilino)-1-[4-(methanesulfinamido)cyclohexyl]pyrazole-4-carboxamide
CID 130284890
CID 164542967
CID 164542967
ethane;formonitrile;methyl 2-bromo-4-[(4-carbamoyl-1-cyclohexylpyrazol-3-yl)amino]benzoate
CID 164542878
1-cyclohexyl-3-[4-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)anilino]pyrazole-4-carboxamide
CID 130284606
3-(4-chloro-3-fluoroanilino)-1-[(1S,2S)-2-methylcyclohexyl]pyrazole-4-carboxamide
CID 130284773
1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 89463355
6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67509222
1-(2-aminocyclohexyl)-3-[(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)amino]pyrazole-4-carboxamide
CID 130284744
1-[(1S,2S,4R)-2-amino-4-(methanesulfonamido)cyclohexyl]-3-(4-chloroanilino)pyrazole-4-carboxamide
CID 163527762

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide?
The IUPAC name of 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide (CID 130284430) is 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide?
The canonical SMILES for 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide is NC(=O)c1cn(C2CCCCC2)nc1Nc1cnc2cc(Cl)ccc2c1.
What is the InChIKey of 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide?
The InChIKey is BEIMTKSPHCKAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-13-7-6-12-8-14(10-22-17(12)9-13)23-19-16(18(21)26)11-25(24-19)15-4-2-1-3-5-15/h6-11,15H,1-5H2,(H2,21,26)(H,23,24).
What are the key properties of 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide?
3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-3-yl)amino]-1-cyclohexylpyrazole-4-carboxamide is sourced from PubChem (CID 130284430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).