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

C19H26N4O — CID 70754396

IUPAC[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccccc3C)CC2C)n[nH]1
InChIInChI=1S/C19H26N4O/c1-4-7-16-12-17(21-20-16)19(24)23-11-10-22(13-15(23)3)18-9-6-5-8-14(18)2/h5-6,8-9,12,15H,4,7,10-11,13H2,1-3H3,(H,20,21)
InChIKeySCYAAVZAKMVYMM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.02
Rot. Bonds4

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

[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 70754396) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID70754396
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccccc3C)CC2C)n[nH]1
InChIInChI=1S/C19H26N4O/c1-4-7-16-12-17(21-20-16)19(24)23-11-10-22(13-15(23)3)18-9-6-5-8-14(18)2/h5-6,8-9,12,15H,4,7,10-11,13H2,1-3H3,(H,20,21)
InChIKeySCYAAVZAKMVYMM-UHFFFAOYSA-N
XLogP3.02
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
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)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
[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026
(5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86966485
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 37314651
1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 46995780
5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70764665
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 134705585

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 70754396) is [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCN(c3ccccc3C)CC2C)n[nH]1.
What is the InChIKey of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is SCYAAVZAKMVYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-7-16-12-17(21-20-16)19(24)23-11-10-22(13-15(23)3)18-9-6-5-8-14(18)2/h5-6,8-9,12,15H,4,7,10-11,13H2,1-3H3,(H,20,21).
What are the key properties of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 326.44 g/mol, XLogP of 3.02, 4 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-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 70754396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).