1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone

C18H22N4O2 — CID 124987763

IUPAC1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCCn1cc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1
InChIInChI=1S/C18H22N4O2/c1-3-21-12-16(11-19-21)18(24)20-9-10-22(14(2)23)17(13-20)15-7-5-4-6-8-15/h4-8,11-12,17H,3,9-10,13H2,1-2H3/t17-/m0/s1
InChIKeyOIKGETPVNMMKOG-KRWDZBQOSA-N
MW326.40 g/mol
LogP1.95
Rot. Bonds3

About 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone

1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone (PubChem CID 124987763) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
PubChem CID124987763
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
SMILESCCn1cc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1
InChIInChI=1S/C18H22N4O2/c1-3-21-12-16(11-19-21)18(24)20-9-10-22(14(2)23)17(13-20)15-7-5-4-6-8-15/h4-8,11-12,17H,3,9-10,13H2,1-2H3/t17-/m0/s1
InChIKeyOIKGETPVNMMKOG-KRWDZBQOSA-N
XLogP1.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-(3-fluorobenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 124991694
1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 125020144
1-[4-(2-methylbenzoyl)-2-phenylpiperazin-1-yl]ethanone
CID 110109594
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
1-[4-(6-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 110098378
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
1-[(2R)-2-phenyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 124976976
1-[4-(1-methylimidazole-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 155983621
1-[(2R)-4-(3-methylpyridine-2-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124948188
[(3aR,6aS)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 118739929
(1-ethylpyrazol-4-yl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56714390
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone (CID 124987763) is 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone is CCn1cc(C(=O)N2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1.
What is the InChIKey of 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is OIKGETPVNMMKOG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-21-12-16(11-19-21)18(24)20-9-10-22(14(2)23)17(13-20)15-7-5-4-6-8-15/h4-8,11-12,17H,3,9-10,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone?
1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(1-ethylpyrazole-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124987763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).