1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

C16H20F2N4O3S — CID 19614845

IUPAC1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3)CC2)cc1
InChIInChI=1S/C16H20F2N4O3S/c1-25-14-4-2-13(3-5-14)11-20-6-8-21(9-7-20)26(23,24)15-10-19-22(12-15)16(17)18/h2-5,10,12,16H,6-9,11H2,1H3
InChIKeyGRBAWRFHEYDXQC-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.79
Rot. Bonds6

About 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine

1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 19614845) has the molecular formula C16H20F2N4O3S and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID19614845
Molecular FormulaC16H20F2N4O3S
Molecular Weight386.42 g/mol
Exact Mass386.12
IUPAC Name1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3)CC2)cc1
InChIInChI=1S/C16H20F2N4O3S/c1-25-14-4-2-13(3-5-14)11-20-6-8-21(9-7-20)26(23,24)15-10-19-22(12-15)16(17)18/h2-5,10,12,16H,6-9,11H2,1H3
InChIKeyGRBAWRFHEYDXQC-UHFFFAOYSA-N
XLogP1.79
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide
CID 6469348
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16676301
N-({1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-4-methoxybenzenesulfonamide
CID 24793239
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]pyrazole-4-sulfonamide
CID 45822307
methyl 1-(3-fluoro-4-methoxybenzyl)-3-(piperidin-1-ylsulfonyl)-1H-pyrazole-4-carboxylate
CID 49664144
4-((1H-pyrazol-1-yl)methyl)-1-((4-(trifluoromethoxy)phenyl)sulfonyl)piperidine
CID 71781201
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((4-(trifluoromethoxy)phenyl)sulfonyl)piperazine
CID 71783851
(4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepan-1-yl)(4-(trifluoromethoxy)phenyl)methanone
CID 86266965
1-[3-[4-(4-Methoxyphenyl)triazol-1-yl]propyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 172459486
4-((1H-pyrazol-1-yl)methyl)-1-((4-methoxy-3-methylphenyl)sulfonyl)piperidine
CID 71781190
1-((2-methoxy-5-methylphenyl)sulfonyl)-4-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepane
CID 86266977

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine (CID 19614845) is 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3)CC2)cc1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
The InChIKey is GRBAWRFHEYDXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O3S/c1-25-14-4-2-13(3-5-14)11-20-6-8-21(9-7-20)26(23,24)15-10-19-22(12-15)16(17)18/h2-5,10,12,16H,6-9,11H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine?
1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 386.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-4-yl]sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 19614845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).