(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone

C16H20N4O — CID 51309247

IUPAC(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1C
InChIInChI=1S/C16H20N4O/c1-13-15(12-17-18(13)2)16(21)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyFDUSDDMMJKKPFO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.69
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone

(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 51309247) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID51309247
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1C
InChIInChI=1S/C16H20N4O/c1-13-15(12-17-18(13)2)16(21)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3
InChIKeyFDUSDDMMJKKPFO-UHFFFAOYSA-N
XLogP1.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51310306
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
1-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 47136455
1,5-dimethyl-N-(1-phenylpiperidin-4-yl)pyrazole-4-carboxamide
CID 86828696
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 86989887
[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36637274
2-methyl-5-[4-(2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]pyridazin-3-one
CID 28909109
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 51309247) is (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(c3ccccc3)CC2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FDUSDDMMJKKPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-15(12-17-18(13)2)16(21)20-10-8-19(9-11-20)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 51309247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).