4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one

C18H21ClN4O2 — CID 70774021

IUPAC4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2=O)c1
InChIInChI=1S/C18H21ClN4O2/c1-13-7-14(2)9-16(8-13)23-6-5-21(12-18(23)25)17(24)3-4-22-11-15(19)10-20-22/h7-11H,3-6,12H2,1-2H3
InChIKeyMLDFNEITXYUZAD-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.42
Rot. Bonds4

About 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one

4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one (PubChem CID 70774021) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one
PubChem CID70774021
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2=O)c1
InChIInChI=1S/C18H21ClN4O2/c1-13-7-14(2)9-16(8-13)23-6-5-21(12-18(23)25)17(24)3-4-22-11-15(19)10-20-22/h7-11H,3-6,12H2,1-2H3
InChIKeyMLDFNEITXYUZAD-UHFFFAOYSA-N
XLogP2.42
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazin-2-one
CID 70758198
N-[1-[2-[4-(3,5-dimethylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 42272801
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119354851
3-(4-chloropyrazol-1-yl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70752053
3-(4-chloropyrazol-1-yl)-1-(4-cyclohexyl-1,4-diazepan-1-yl)propan-1-one
CID 70715350
3-(4-chloropyrazol-1-yl)-1-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 166329070
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19572708
(4aS,8aR)-6-[3-(4-chloropyrazol-1-yl)propanoyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56886740
8-[3-(4-chloropyrazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70764812
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622537
7-[3-(4-chloropyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70770814

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one?
The IUPAC name of 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one (CID 70774021) is 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one?
The canonical SMILES for 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one is Cc1cc(C)cc(N2CCN(C(=O)CCn3cc(Cl)cn3)CC2=O)c1.
What is the InChIKey of 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one?
The InChIKey is MLDFNEITXYUZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-13-7-14(2)9-16(8-13)23-6-5-21(12-18(23)25)17(24)3-4-22-11-15(19)10-20-22/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one?
4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one has a molecular weight of 360.85 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloropyrazol-1-yl)propanoyl]-1-(3,5-dimethylphenyl)piperazin-2-one is sourced from PubChem (CID 70774021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).