(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C23H25FN4O — CID 78873933

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H25FN4O/c1-2-22-21(16-25-28(22)17-18-6-4-3-5-7-18)23(29)27-14-12-26(13-15-27)20-10-8-19(24)9-11-20/h3-11,16H,2,12-15,17H2,1H3
InChIKeyGTOCFXOTTXUVGU-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.60
Rot. Bonds5

About (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 78873933) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID78873933
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C23H25FN4O/c1-2-22-21(16-25-28(22)17-18-6-4-3-5-7-18)23(29)27-14-12-26(13-15-27)20-10-8-19(24)9-11-20/h3-11,16H,2,12-15,17H2,1H3
InChIKeyGTOCFXOTTXUVGU-UHFFFAOYSA-N
XLogP3.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-5-ethylpyrazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 78873065
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(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
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589891
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78873001

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 78873933) is (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is GTOCFXOTTXUVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-2-22-21(16-25-28(22)17-18-6-4-3-5-7-18)23(29)27-14-12-26(13-15-27)20-10-8-19(24)9-11-20/h3-11,16H,2,12-15,17H2,1H3.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 392.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78873933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).