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

C16H15ClN6O — CID 121442782

IUPACN-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-n3cccn3)c2C1
InChIInChI=1S/C16H15ClN6O/c17-11-3-1-4-12(9-11)19-16(24)22-8-5-14-13(10-22)15(21-20-14)23-7-2-6-18-23/h1-4,6-7,9H,5,8,10H2,(H,19,24)(H,20,21)
InChIKeyCUCOICRWTJOLKL-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.84
Rot. Bonds2

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

N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442782) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442782
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC NameN-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-n3cccn3)c2C1
InChIInChI=1S/C16H15ClN6O/c17-11-3-1-4-12(9-11)19-16(24)22-8-5-14-13(10-22)15(21-20-14)23-7-2-6-18-23/h1-4,6-7,9H,5,8,10H2,(H,19,24)(H,20,21)
InChIKeyCUCOICRWTJOLKL-UHFFFAOYSA-N
XLogP2.84
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-amino-1H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11523735
1-[(3-chloro-4-fluorophenyl)methyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555837
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555838
3-[1-[1-(2,4-dichlorophenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1H-imidazol-2-one
CID 44589317
1-[(3-chlorophenyl)methyl]-3-(5-pyridin-2-yl-1H-pyrazol-3-yl)urea
CID 127037902
N-(2-chloro-4-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 162672573
[4-[2-(3-Chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 70975434
1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118380787
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118380835
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118380924
ALP-POS-91609ae9-3
CID 156907175
N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 162656859

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442782) is N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-n3cccn3)c2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is CUCOICRWTJOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c17-11-3-1-4-12(9-11)19-16(24)22-8-5-14-13(10-22)15(21-20-14)23-7-2-6-18-23/h1-4,6-7,9H,5,8,10H2,(H,19,24)(H,20,21).
What are the key properties of N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).