3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C14H16FN3O — CID 15481189

IUPAC3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1N=C2CCNCC2(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H16FN3O/c1-18-13(19)14(9-16-7-6-12(14)17-18)8-10-2-4-11(15)5-3-10/h2-5,16H,6-9H2,1H3
InChIKeyWKCXNZGWOZXBAK-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.18
Rot. Bonds2

About 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 15481189) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID15481189
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1N=C2CCNCC2(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H16FN3O/c1-18-13(19)14(9-16-7-6-12(14)17-18)8-10-2-4-11(15)5-3-10/h2-5,16H,6-9H2,1H3
InChIKeyWKCXNZGWOZXBAK-UHFFFAOYSA-N
XLogP1.18
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
2-Piperidinone, 6-((4,5-dihydro-5-phenyl-1H-pyrazol-3-yl)methyl)-4,4-dimethyl-
CID 3065245
N-butyl-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 122176524
(3R)-3-benzyl-N,N',N'-trimethylpiperidine-3-carbohydrazide
CID 53488122
N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39437598
3a-Benzyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 22557093
3a-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 22557159
3a-benzyl-3-oxo-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 22988009
(3aR)-3a-benzyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 23377727
2-(2,2,2-Trifluoroethyl)-3-oxo-3a-benzyl-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
CID 57089142
tert-butyl (3aR)-3a-[(4-fluorophenyl)methyl]-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 57238178
tert-butyl (3aR)-3a-benzyl-3-oxo-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 57284451

Frequently Asked Questions

What is the IUPAC name of 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 15481189) is 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CN1N=C2CCNCC2(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is WKCXNZGWOZXBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-18-13(19)14(9-16-7-6-12(14)17-18)8-10-2-4-11(15)5-3-10/h2-5,16H,6-9H2,1H3.
What are the key properties of 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 261.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(4-fluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 15481189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).