N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C20H18ClFN4O — CID 162659456

IUPACN-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCN(C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H18ClFN4O/c1-25(14-7-8-17(22)16(21)11-14)20(27)26-10-9-18-15(12-26)19(24-23-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,24)
InChIKeyKNRAIFKHXCORLZ-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.48
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162659456) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162659456
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCN(C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H18ClFN4O/c1-25(14-7-8-17(22)16(21)11-14)20(27)26-10-9-18-15(12-26)19(24-23-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,24)
InChIKeyKNRAIFKHXCORLZ-UHFFFAOYSA-N
XLogP4.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162659456) is N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CN(C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is KNRAIFKHXCORLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-25(14-7-8-17(22)16(21)11-14)20(27)26-10-9-18-15(12-26)19(24-23-18)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162659456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).