1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one

C12H18N4O2 — CID 71934220

IUPAC1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)Cn2cccn2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-11(17)14-6-8-15(9-7-14)12(18)10-16-5-3-4-13-16/h3-5H,2,6-10H2,1H3
InChIKeyGPRUKXOETYXASV-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.04
Rot. Bonds3

About 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one

1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one (PubChem CID 71934220) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
PubChem CID71934220
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)Cn2cccn2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-11(17)14-6-8-15(9-7-14)12(18)10-16-5-3-4-13-16/h3-5H,2,6-10H2,1H3
InChIKeyGPRUKXOETYXASV-UHFFFAOYSA-N
XLogP-0.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
5-(4-Methylpiperazin-1-yl)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 28098395
2-(4-Bromopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 45153794
2-(4-Bromopyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 45153795
1-(4-Methylsulfonylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 45802473
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 49070557
1-(2,6-Dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
CID 51074299
1-[4-(Diethylaminomethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 53519876
N-cyclopropyl-N-ethyl-3-pyrazol-1-ylpropanamide
CID 53521306
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
2-Methyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 53557445
3-Methyl-1-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]pyrimidine-2,4-dione
CID 53562420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one (CID 71934220) is 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)Cn2cccn2)CC1.
What is the InChIKey of 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is GPRUKXOETYXASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-11(17)14-6-8-15(9-7-14)12(18)10-16-5-3-4-13-16/h3-5H,2,6-10H2,1H3.
What are the key properties of 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one?
1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 250.30 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71934220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).