(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

C21H21FN4O — CID 47844771

IUPAC(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H21FN4O/c22-18-7-4-8-19(15-18)26-10-9-20(23-26)21(27)25-13-11-24(12-14-25)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2
InChIKeyGZNOOHTXJAXBGV-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.97
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone

(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (PubChem CID 47844771) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
PubChem CID47844771
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H21FN4O/c22-18-7-4-8-19(15-18)26-10-9-20(23-26)21(27)25-13-11-24(12-14-25)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2
InChIKeyGZNOOHTXJAXBGV-UHFFFAOYSA-N
XLogP2.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 19279228
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55929086
4-[[4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55928801
N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
CID 47924929
[1-(3-nitrophenyl)pyrazol-3-yl]-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 38498083
1-[3-fluoro-4-[4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 47850211
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 19472780
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70730781
[1-(3-fluorophenyl)pyrazol-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95583484
[1-(3-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023506
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone (CID 47844771) is (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is O=C(c1ccn(-c2cccc(F)c2)n1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
The InChIKey is GZNOOHTXJAXBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-7-4-8-19(15-18)26-10-9-20(23-26)21(27)25-13-11-24(12-14-25)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 364.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 47844771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).