2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C13H22N4O — CID 126752802

IUPAC2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)Cc2ccn(C)n2)CC1
InChIInChI=1S/C13H22N4O/c1-11(2)16-6-8-17(9-7-16)13(18)10-12-4-5-15(3)14-12/h4-5,11H,6-10H2,1-3H3
InChIKeyIRIKHWUIDLHKRL-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.52
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 126752802) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID126752802
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)Cc2ccn(C)n2)CC1
InChIInChI=1S/C13H22N4O/c1-11(2)16-6-8-17(9-7-16)13(18)10-12-4-5-15(3)14-12/h4-5,11H,6-10H2,1-3H3
InChIKeyIRIKHWUIDLHKRL-UHFFFAOYSA-N
XLogP0.52
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
1-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]-2-(1-methylpyrazol-3-yl)ethanone
CID 131687388
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176
2-[(1-methylpyrazol-3-yl)methylamino]-1-piperidin-1-ylethanone
CID 78921060
8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688528
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-one
CID 115793060
1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 116556161
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82869017
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 126752802) is 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)Cc2ccn(C)n2)CC1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is IRIKHWUIDLHKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(2)16-6-8-17(9-7-16)13(18)10-12-4-5-15(3)14-12/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 250.35 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 126752802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).