N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C18H17ClN4OS — CID 121442811

IUPACN-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C18H17ClN4OS/c1-11-14(6-8-25-11)17-15-10-23(7-5-16(15)21-22-17)18(24)20-13-4-2-3-12(19)9-13/h2-4,6,8-9H,5,7,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyAAKDAZHKDNROIX-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.69
Rot. Bonds2

About N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442811) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442811
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC NameN-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C18H17ClN4OS/c1-11-14(6-8-25-11)17-15-10-23(7-5-16(15)21-22-17)18(24)20-13-4-2-3-12(19)9-13/h2-4,6,8-9H,5,7,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyAAKDAZHKDNROIX-UHFFFAOYSA-N
XLogP4.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
N-(3-chlorophenyl)-3-(2-fluoro-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435101
N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435525
3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443459
[5-[(3-chlorophenyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl] trifluoromethanesulfonate
CID 121435065
N-(3-chlorophenyl)-3-(oxazinane-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 166635916
3-N-(azetidin-3-yloxy)-5-N-(3-chlorophenyl)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437163
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442894
N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 158788522
ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725868
tert-butyl 3-amino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-pyrrolidin-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrrolidin-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1,4-dibromobutane
CID 162163609

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442811) is N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is AAKDAZHKDNROIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-11-14(6-8-25-11)17-15-10-23(7-5-16(15)21-22-17)18(24)20-13-4-2-3-12(19)9-13/h2-4,6,8-9H,5,7,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).