[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C17H22N4O — CID 70709461

IUPAC[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3C)CC2C)n[nH]1
InChIInChI=1S/C17H22N4O/c1-12-6-4-5-7-16(12)20-8-9-21(14(3)11-20)17(22)15-10-13(2)18-19-15/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyKPKTXXNWDRFCLR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.38
Rot. Bonds2

About [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 70709461) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID70709461
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccccc3C)CC2C)n[nH]1
InChIInChI=1S/C17H22N4O/c1-12-6-4-5-7-16(12)20-8-9-21(14(3)11-20)17(22)15-10-13(2)18-19-15/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyKPKTXXNWDRFCLR-UHFFFAOYSA-N
XLogP2.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70754396
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
CID 70768716
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 70754475
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 70775005
(2S)-2-methyl-4-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperazine-1-carboxamide
CID 125156301
cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
CID 91924237
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
(5R)-5-methyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3-phenylphenyl)piperazin-2-one
CID 96582352
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70764665
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 70709461) is [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccccc3C)CC2C)n[nH]1.
What is the InChIKey of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is KPKTXXNWDRFCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-6-4-5-7-16(12)20-8-9-21(14(3)11-20)17(22)15-10-13(2)18-19-15/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 70709461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).