1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone

C14H20F2N4O2 — CID 48650847

IUPAC1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)CC1
InChIInChI=1S/C14H20F2N4O2/c1-9-12(10(2)20(17-9)14(15)16)8-13(22)19-6-4-18(5-7-19)11(3)21/h14H,4-8H2,1-3H3
InChIKeyWNMHTPXKAWYBGZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.13
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 48650847) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID48650847
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)CC1
InChIInChI=1S/C14H20F2N4O2/c1-9-12(10(2)20(17-9)14(15)16)8-13(22)19-6-4-18(5-7-19)11(3)21/h14H,4-8H2,1-3H3
InChIKeyWNMHTPXKAWYBGZ-UHFFFAOYSA-N
XLogP1.13
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 45885370
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47020141
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
1-acetyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72845553
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 97404991
(4-Methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone
CID 97462024
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 97516891
1-(4-Acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 34840010
(4-Propylpiperazin-1-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 40140215
N,N,5-trimethyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502071
(5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 45502072
[5-Methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 45502074

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone (CID 48650847) is 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone is CC(=O)N1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is WNMHTPXKAWYBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-9-12(10(2)20(17-9)14(15)16)8-13(22)19-6-4-18(5-7-19)11(3)21/h14H,4-8H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 314.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 48650847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).