1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one

C19H24N4O2 — CID 138994571

IUPAC1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
SMILESCc1c(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cnn1C
InChIInChI=1S/C19H24N4O2/c1-15-17(14-20-21(15)2)8-9-18(24)22-10-12-23(13-11-22)19(25)16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3
InChIKeyNDFNRYZQWSZNSN-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.65
Rot. Bonds4

About 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one

1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one (PubChem CID 138994571) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
PubChem CID138994571
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
SMILESCc1c(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cnn1C
InChIInChI=1S/C19H24N4O2/c1-15-17(14-20-21(15)2)8-9-18(24)22-10-12-23(13-11-22)19(25)16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3
InChIKeyNDFNRYZQWSZNSN-UHFFFAOYSA-N
XLogP1.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 154844250
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120608110
2-[3-(4-benzoyl-1,4-diazepan-1-yl)-3-oxopropyl]benzoic acid
CID 120549443
3-(1,5-dimethylpyrazol-4-yl)-1-[(3S,4S)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-phenoxypiperidin-1-yl]propan-1-one
CID 110078278
[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 4776530
1-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 138000791
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 39570966
3-(2-fluorophenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110603269
5-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 134036516
3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one
CID 138036923
1-[(3aR,6aS)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 110126599

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one (CID 138994571) is 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one is Cc1c(CCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cnn1C.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one?
The InChIKey is NDFNRYZQWSZNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-17(14-20-21(15)2)8-9-18(24)22-10-12-23(13-11-22)19(25)16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one?
1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 138994571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).