4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one

C17H18N4O2 — CID 31096480

IUPAC4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCN1
InChIInChI=1S/C17H18N4O2/c22-16-11-20(9-8-18-16)17(23)15-10-14(12-6-7-12)19-21(15)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,18,22)
InChIKeyDMNJTSQTYRKYGH-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.32
Rot. Bonds3

About 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one

4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one (PubChem CID 31096480) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one
PubChem CID31096480
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCN1
InChIInChI=1S/C17H18N4O2/c22-16-11-20(9-8-18-16)17(23)15-10-14(12-6-7-12)19-21(15)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,18,22)
InChIKeyDMNJTSQTYRKYGH-UHFFFAOYSA-N
XLogP1.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51487785
[4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413204
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998844
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 31482999
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
CID 9363213
6-cyclopropyl-3-oxo-2-phenylpyridazine-4-carboxylic acid
CID 130447771
3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82376267
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 9464011
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 8850204
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one (CID 31096480) is 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CCN1.
What is the InChIKey of 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one?
The InChIKey is DMNJTSQTYRKYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16-11-20(9-8-18-16)17(23)15-10-14(12-6-7-12)19-21(15)13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H,18,22).
What are the key properties of 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one?
4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one has a molecular weight of 310.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 31096480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).