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

C19H17ClN4O — CID 121442895

IUPACN-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C19H17ClN4O/c20-15-8-4-5-9-17(15)21-19(25)24-11-10-16-14(12-24)18(23-22-16)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,25)(H,22,23)
InChIKeyCDAFWJPRFQECFL-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.32
Rot. Bonds2

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

N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442895) has the molecular formula C19H17ClN4O and a molecular weight of 352.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442895
Molecular FormulaC19H17ClN4O
Molecular Weight352.82 g/mol
Exact Mass352.11
IUPAC NameN-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C19H17ClN4O/c20-15-8-4-5-9-17(15)21-19(25)24-11-10-16-14(12-24)18(23-22-16)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,25)(H,22,23)
InChIKeyCDAFWJPRFQECFL-UHFFFAOYSA-N
XLogP4.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442895) is N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1ccccc1Cl)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is CDAFWJPRFQECFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-15-8-4-5-9-17(15)21-19(25)24-11-10-16-14(12-24)18(23-22-16)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,25)(H,22,23).
What are the key properties of N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).