2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone

C14H24N4O — CID 114197551

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1nccc1C(=O)CC1CN(C)CCN1C
InChIInChI=1S/C14H24N4O/c1-11(2)18-13(5-6-15-18)14(19)9-12-10-16(3)7-8-17(12)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyHCJHPTWIBYBPER-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.28
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone

2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 114197551) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID114197551
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1nccc1C(=O)CC1CN(C)CCN1C
InChIInChI=1S/C14H24N4O/c1-11(2)18-13(5-6-15-18)14(19)9-12-10-16(3)7-8-17(12)4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyHCJHPTWIBYBPER-UHFFFAOYSA-N
XLogP1.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197919
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 113305458
1-(4-chloro-1-methylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 114642034
(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 125022126
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 115414583
1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
CID 115414648
2-propan-2-ylpyrazole-3-carboxylate
CID 7276397
2-(1,4-dimethylpiperazin-2-yl)-1-quinolin-3-ylethanone
CID 115414691
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008451
N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 166871994
1-(4-methylpiperazin-1-yl)-2-[(3S,4S)-4-phenoxy-1-(2-propan-2-ylpyrazole-3-carbonyl)piperidin-3-yl]ethanone
CID 110078279
1-methyl-4-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245456

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone (CID 114197551) is 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1nccc1C(=O)CC1CN(C)CCN1C.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is HCJHPTWIBYBPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)18-13(5-6-15-18)14(19)9-12-10-16(3)7-8-17(12)4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114197551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).