[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C15H17FN4O — CID 120736320

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccc(F)c2)n[nH]1
InChIInChI=1S/C15H17FN4O/c1-10-7-13(19-18-10)15(21)20-6-5-17-9-14(20)11-3-2-4-12(16)8-11/h2-4,7-8,14,17H,5-6,9H2,1H3,(H,18,19)
InChIKeyNGTRSKCMVQPRCM-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.64
Rot. Bonds2

About [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 120736320) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID120736320
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccc(F)c2)n[nH]1
InChIInChI=1S/C15H17FN4O/c1-10-7-13(19-18-10)15(21)20-6-5-17-9-14(20)11-3-2-4-12(16)8-11/h2-4,7-8,14,17H,5-6,9H2,1H3,(H,18,19)
InChIKeyNGTRSKCMVQPRCM-UHFFFAOYSA-N
XLogP1.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone 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

(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737148
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone
CID 120737836
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120737611
(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737538
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
(2,5-dimethylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736000
(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933
(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736069

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 120736320) is [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCNCC2c2cccc(F)c2)n[nH]1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is NGTRSKCMVQPRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-10-7-13(19-18-10)15(21)20-6-5-17-9-14(20)11-3-2-4-12(16)8-11/h2-4,7-8,14,17H,5-6,9H2,1H3,(H,18,19).
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 288.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 120736320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).