N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C19H19ClN4OS — CID 121442832

IUPACN-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4OS/c1-12-9-16-15(18(23(2)22-16)17-7-4-8-26-17)11-24(12)19(25)21-14-6-3-5-13(20)10-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,25)
InChIKeyUTFGTGWBPAOSNV-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.78
Rot. Bonds2

About N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442832) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442832
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC NameN-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4OS/c1-12-9-16-15(18(23(2)22-16)17-7-4-8-26-17)11-24(12)19(25)21-14-6-3-5-13(20)10-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,25)
InChIKeyUTFGTGWBPAOSNV-UHFFFAOYSA-N
XLogP4.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443448
(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442882
N-(3-chlorophenyl)-4-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 160645736
N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
CID 156570159
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917
(5R)-N-(3-cyano-4-fluorophenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 146625442
(5R,11R)-N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434725
N-(3-chlorophenyl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 13120683
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
CID 110369345
(5R,11S)-N-(4-fluoro-3-methylphenyl)-11-[(1R)-1-hydroxyprop-2-enyl]-5,13-dimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 161070757
(5R,11R)-N-(3-bromo-4-fluorophenyl)-11-[(1R)-1-hydroxypropyl]-5,13-dimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 153323915
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442832) is N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CC1Cc2nn(C)c(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is UTFGTGWBPAOSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-12-9-16-15(18(23(2)22-16)17-7-4-8-26-17)11-24(12)19(25)21-14-6-3-5-13(20)10-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,25).
What are the key properties of N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,6-dimethyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).