1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride

C15H19ClN4O — CID 119547166

IUPAC1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(=O)Nc1ccc2c(c1)CCCN2.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-10-13(9-19(2)18-10)15(20)17-12-5-6-14-11(8-12)4-3-7-16-14;/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,20);1H
InChIKeyFCVLOSFNTBKMFN-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.76
Rot. Bonds2

About 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride

1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119547166) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119547166
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1nn(C)cc1C(=O)Nc1ccc2c(c1)CCCN2.Cl
InChIInChI=1S/C15H18N4O.ClH/c1-10-13(9-19(2)18-10)15(20)17-12-5-6-14-11(8-12)4-3-7-16-14;/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,20);1H
InChIKeyFCVLOSFNTBKMFN-UHFFFAOYSA-N
XLogP2.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810956
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547274
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazine-2-carboxamide;dihydrochloride
CID 119547211
5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
CID 63282573
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
2,4-dimethoxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547243
1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride
CID 119547328
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride (CID 119547166) is 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride is Cc1nn(C)cc1C(=O)Nc1ccc2c(c1)CCCN2.Cl.
What is the InChIKey of 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is FCVLOSFNTBKMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c1-10-13(9-19(2)18-10)15(20)17-12-5-6-14-11(8-12)4-3-7-16-14;/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,17,20);1H.
What are the key properties of 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride?
1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119547166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).