4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one

C20H26N4O2 — CID 91771683

IUPAC4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCN(CCc3ccccc3)C(=O)C2)n1
InChIInChI=1S/C20H26N4O2/c1-16-14-17(2)24(21-16)11-9-19(25)23-13-12-22(20(26)15-23)10-8-18-6-4-3-5-7-18/h3-7,14H,8-13,15H2,1-2H3
InChIKeyZTLVPQAWSBSZTF-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.80
Rot. Bonds6

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

4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one (PubChem CID 91771683) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one
PubChem CID91771683
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCN(CCc3ccccc3)C(=O)C2)n1
InChIInChI=1S/C20H26N4O2/c1-16-14-17(2)24(21-16)11-9-19(25)23-13-12-22(20(26)15-23)10-8-18-6-4-3-5-7-18/h3-7,14H,8-13,15H2,1-2H3
InChIKeyZTLVPQAWSBSZTF-UHFFFAOYSA-N
XLogP1.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 55542864
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 19558445
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 55503664
3-(3,5-dimethylpyrazol-1-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 91918100
(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one
CID 91786581
2-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24681815
4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
CID 110708994
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one
CID 56858619
2-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 79612728

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one (CID 91771683) is 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one is Cc1cc(C)n(CCC(=O)N2CCN(CCc3ccccc3)C(=O)C2)n1.
What is the InChIKey of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one?
The InChIKey is ZTLVPQAWSBSZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-14-17(2)24(21-16)11-9-19(25)23-13-12-22(20(26)15-23)10-8-18-6-4-3-5-7-18/h3-7,14H,8-13,15H2,1-2H3.
What are the key properties of 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one?
4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one has a molecular weight of 354.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 91771683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).