1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C14H14F2N4O — CID 82588556

IUPAC1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(F)c(F)c2)c2c1CNCC2
InChIInChI=1S/C14H14F2N4O/c15-10-2-1-8(5-11(10)16)7-20-12-3-4-18-6-9(12)13(19-20)14(17)21/h1-2,5,18H,3-4,6-7H2,(H2,17,21)
InChIKeyQISBJOSSKJPKPA-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.95
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 82588556) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID82588556
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(F)c(F)c2)c2c1CNCC2
InChIInChI=1S/C14H14F2N4O/c15-10-2-1-8(5-11(10)16)7-20-12-3-4-18-6-9(12)13(19-20)14(17)21/h1-2,5,18H,3-4,6-7H2,(H2,17,21)
InChIKeyQISBJOSSKJPKPA-UHFFFAOYSA-N
XLogP0.95
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 82588556) is 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is NC(=O)c1nn(Cc2ccc(F)c(F)c2)c2c1CNCC2.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QISBJOSSKJPKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c15-10-2-1-8(5-11(10)16)7-20-12-3-4-18-6-9(12)13(19-20)14(17)21/h1-2,5,18H,3-4,6-7H2,(H2,17,21).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 82588556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).