[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone

C15H17FN4O — CID 154744491

IUPAC[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c1-11-10-14(15(21)19-8-6-17-7-9-19)18-20(11)13-4-2-12(16)3-5-13/h2-5,10,17H,6-9H2,1H3
InChIKeyJKXMCGOLEWLZRI-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.37
Rot. Bonds2

About [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone

[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone (PubChem CID 154744491) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
PubChem CID154744491
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCNCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O/c1-11-10-14(15(21)19-8-6-17-7-9-19)18-20(11)13-4-2-12(16)3-5-13/h2-5,10,17H,6-9H2,1H3
InChIKeyJKXMCGOLEWLZRI-UHFFFAOYSA-N
XLogP1.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698662
[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400312
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400049
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 126792647
1-[1-(4-fluorophenyl)-5-methylpyrazole-3-carbonyl]-7-phenyl-1,4-diazepan-5-one
CID 126801090
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110373271
1-(4-fluorophenyl)-5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrazole-3-carboxamide
CID 120643324
1,4-diazepan-1-yl-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119417104
[2-(difluoromethoxy)phenyl]-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 55762009

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone (CID 154744491) is [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone is Cc1cc(C(=O)N2CCNCC2)nn1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone?
The InChIKey is JKXMCGOLEWLZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11-10-14(15(21)19-8-6-17-7-9-19)18-20(11)13-4-2-12(16)3-5-13/h2-5,10,17H,6-9H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone?
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone has a molecular weight of 288.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 154744491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).