1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine

C9H14F2N4O2S — CID 19620796

IUPAC1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H14F2N4O2S/c1-7-8(6-15(13-7)9(10)11)18(16,17)14-4-2-12-3-5-14/h6,9,12H,2-5H2,1H3
InChIKeyWBHJWZSVDKNIFD-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.18
Rot. Bonds3

About 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine

1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine (PubChem CID 19620796) has the molecular formula C9H14F2N4O2S and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine
PubChem CID19620796
Molecular FormulaC9H14F2N4O2S
Molecular Weight280.30 g/mol
Exact Mass280.08
IUPAC Name1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H14F2N4O2S/c1-7-8(6-15(13-7)9(10)11)18(16,17)14-4-2-12-3-5-14/h6,9,12H,2-5H2,1H3
InChIKeyWBHJWZSVDKNIFD-UHFFFAOYSA-N
XLogP0.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 6465895
1,3-Dimethyl-4-[(4-propylpiperazinyl)sulfonyl]pyrazole
CID 6466875
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
1-((1,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-piperidinamine
CID 25247406
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
1-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 50896808
3-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 66020430
1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681198
1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 13630088
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 19622862
1-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247405
1,3-dimethyl-N-(2-morpholinoethyl)-1H-pyrazole-4-sulfonamide
CID 30858875

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine?
The IUPAC name of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine (CID 19620796) is 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine.
What is the SMILES notation for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine?
The canonical SMILES for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine is Cc1nn(C(F)F)cc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine?
The InChIKey is WBHJWZSVDKNIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O2S/c1-7-8(6-15(13-7)9(10)11)18(16,17)14-4-2-12-3-5-14/h6,9,12H,2-5H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine?
1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine has a molecular weight of 280.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazine is sourced from PubChem (CID 19620796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).