4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one

C18H22N4O3 — CID 122565613

IUPAC4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
SMILESCc1c(-c2ccc(C(=O)N3CCNC(=O)C3CCO)cc2)cnn1C
InChIInChI=1S/C18H22N4O3/c1-12-15(11-20-21(12)2)13-3-5-14(6-4-13)18(25)22-9-8-19-17(24)16(22)7-10-23/h3-6,11,16,23H,7-10H2,1-2H3,(H,19,24)
InChIKeyVKOLHIWDKHDPAO-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.72
Rot. Bonds4

About 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one

4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one (PubChem CID 122565613) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
PubChem CID122565613
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
SMILESCc1c(-c2ccc(C(=O)N3CCNC(=O)C3CCO)cc2)cnn1C
InChIInChI=1S/C18H22N4O3/c1-12-15(11-20-21(12)2)13-3-5-14(6-4-13)18(25)22-9-8-19-17(24)16(22)7-10-23/h3-6,11,16,23H,7-10H2,1-2H3,(H,19,24)
InChIKeyVKOLHIWDKHDPAO-UHFFFAOYSA-N
XLogP0.72
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(2-hydroxyethyl)-4-[4-(2-propan-2-ylphenyl)benzoyl]piperazin-2-one
CID 126437724
(3S)-3-(2-hydroxyethyl)-4-[4-(2-methyl-6-propylpyrimidin-4-yl)benzoyl]piperazin-2-one
CID 125441883
(3S)-3-(2-hydroxyethyl)-4-(4-methoxy-3,5-dimethylbenzoyl)piperazin-2-one
CID 95200368
4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
4-[2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carbonyl]-3-ethylpiperazin-2-one
CID 46977179
(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 125170757
(3R)-4-(2-chloro-3-methylbenzoyl)-3-(2-hydroxyethyl)piperazin-2-one
CID 29256098
[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 122566404
(2R)-N-(3-chloro-2,6-dimethylphenyl)-2-(2-hydroxyethyl)-3-oxopiperazine-1-carboxamide
CID 97437593
(3S)-3-ethyl-4-[4-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]benzoyl]piperazin-2-one
CID 125437778
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 79595130
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The IUPAC name of 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one (CID 122565613) is 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one.
What is the SMILES notation for 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The canonical SMILES for 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one is Cc1c(-c2ccc(C(=O)N3CCNC(=O)C3CCO)cc2)cnn1C.
What is the InChIKey of 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one?
The InChIKey is VKOLHIWDKHDPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-15(11-20-21(12)2)13-3-5-14(6-4-13)18(25)22-9-8-19-17(24)16(22)7-10-23/h3-6,11,16,23H,7-10H2,1-2H3,(H,19,24).
What are the key properties of 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one?
4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one has a molecular weight of 342.40 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,5-dimethylpyrazol-4-yl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one is sourced from PubChem (CID 122565613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).