1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one

C15H15FN4O2 — CID 91783345

IUPAC1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccn[nH]2)CCN1Cc1ccccc1F
InChIInChI=1S/C15H15FN4O2/c16-12-4-2-1-3-11(12)9-19-7-8-20(10-14(19)21)15(22)13-5-6-17-18-13/h1-6H,7-10H2,(H,17,18)
InChIKeySQWPXTQXTNASHI-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.03
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one

1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one (PubChem CID 91783345) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
PubChem CID91783345
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2ccn[nH]2)CCN1Cc1ccccc1F
InChIInChI=1S/C15H15FN4O2/c16-12-4-2-1-3-11(12)9-19-7-8-20(10-14(19)21)15(22)13-5-6-17-18-13/h1-6H,7-10H2,(H,17,18)
InChIKeySQWPXTQXTNASHI-UHFFFAOYSA-N
XLogP1.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70758963
1-[(2-fluorophenyl)methyl]-4-(2-propoxybenzoyl)piperazin-2-one
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1-[(2-fluorophenyl)methyl]-4-(5-methoxy-3-methyl-1H-indole-2-carbonyl)piperazin-2-one
CID 28925113
1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 56904232
1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
CID 146080007
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
6-[[4-(2-fluorophenyl)phenyl]methyl]-4-prop-2-enyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 110230668
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
(6R)-6-[(2-phenylphenyl)methyl]-4-propyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 92587217
6-[(2-phenylphenyl)methyl]-4-propyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 110230248
[5-[(2-fluorophenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone
CID 110067249
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one (CID 91783345) is 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2ccn[nH]2)CCN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is SQWPXTQXTNASHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-12-4-2-1-3-11(12)9-19-7-8-20(10-14(19)21)15(22)13-5-6-17-18-13/h1-6H,7-10H2,(H,17,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one?
1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 302.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 91783345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).