[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride

C14H16ClFN4O — CID 119400312

IUPAC[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCNCC1
InChIInChI=1S/C14H15FN4O.ClH/c15-11-1-3-12(4-2-11)19-8-5-13(17-19)14(20)18-9-6-16-7-10-18;/h1-5,8,16H,6-7,9-10H2;1H
InChIKeyFSCPOKGFVXBBTE-UHFFFAOYSA-N
MW310.76 g/mol
LogP1.48
Rot. Bonds2

About [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride

[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119400312) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119400312
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCNCC1
InChIInChI=1S/C14H15FN4O.ClH/c15-11-1-3-12(4-2-11)19-8-5-13(17-19)14(20)18-9-6-16-7-10-18;/h1-5,8,16H,6-7,9-10H2;1H
InChIKeyFSCPOKGFVXBBTE-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 119400311
1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355330
(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023395
[1-(3-bromophenyl)pyrazol-3-yl]-(1,4-diazepan-1-yl)methanone
CID 119418755
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 120804017
[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 154882392
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996125
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395031
[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475319

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride (CID 119400312) is [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCNCC1.
What is the InChIKey of [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is FSCPOKGFVXBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O.ClH/c15-11-1-3-12(4-2-11)19-8-5-13(17-19)14(20)18-9-6-16-7-10-18;/h1-5,8,16H,6-7,9-10H2;1H.
What are the key properties of [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride?
[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 310.76 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119400312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).