(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone

C17H22N4O — CID 119402258

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
SMILESCCc1c(C(=O)N2CCNCC2)cnn1Cc1ccccc1
InChIInChI=1S/C17H22N4O/c1-2-16-15(17(22)20-10-8-18-9-11-20)12-19-21(16)13-14-6-4-3-5-7-14/h3-7,12,18H,2,8-11,13H2,1H3
InChIKeyKVAMMXIOCQWLCC-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.54
Rot. Bonds4

About (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone

(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 119402258) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
PubChem CID119402258
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
SMILESCCc1c(C(=O)N2CCNCC2)cnn1Cc1ccccc1
InChIInChI=1S/C17H22N4O/c1-2-16-15(17(22)20-10-8-18-9-11-20)12-19-21(16)13-14-6-4-3-5-7-14/h3-7,12,18H,2,8-11,13H2,1H3
InChIKeyKVAMMXIOCQWLCC-UHFFFAOYSA-N
XLogP1.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589891
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 78905352
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 78874273
1-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 78872072
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78873214

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone (CID 119402258) is (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone is CCc1c(C(=O)N2CCNCC2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is KVAMMXIOCQWLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-16-15(17(22)20-10-8-18-9-11-20)12-19-21(16)13-14-6-4-3-5-7-14/h3-7,12,18H,2,8-11,13H2,1H3.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone?
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 119402258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).