(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone

C14H15FN4O — CID 122135997

IUPAC(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-n2cccn2)c(F)c1)N1CCNCC1
InChIInChI=1S/C14H15FN4O/c15-12-10-11(14(20)18-8-5-16-6-9-18)2-3-13(12)19-7-1-4-17-19/h1-4,7,10,16H,5-6,8-9H2
InChIKeyKSDXUKJOKRSCOE-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.06
Rot. Bonds2

About (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone

(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone (PubChem CID 122135997) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
PubChem CID122135997
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-n2cccn2)c(F)c1)N1CCNCC1
InChIInChI=1S/C14H15FN4O/c15-12-10-11(14(20)18-8-5-16-6-9-18)2-3-13(12)19-7-1-4-17-19/h1-4,7,10,16H,5-6,8-9H2
InChIKeyKSDXUKJOKRSCOE-UHFFFAOYSA-N
XLogP1.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone 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

(3-fluoro-4-pyrazol-1-ylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609775
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683
(3-fluoro-4-piperazin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 59295895
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
(3-fluoro-4-nitrophenyl)-piperazin-1-ylmethanone
CID 86004677
(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine
CID 94830259
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981002
3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide
CID 126809638
[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone (CID 122135997) is (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone is O=C(c1ccc(-n2cccn2)c(F)c1)N1CCNCC1.
What is the InChIKey of (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone?
The InChIKey is KSDXUKJOKRSCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-12-10-11(14(20)18-8-5-16-6-9-18)2-3-13(12)19-7-1-4-17-19/h1-4,7,10,16H,5-6,8-9H2.
What are the key properties of (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone?
(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone has a molecular weight of 274.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 122135997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).