1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole

C11H19F3N4O2S — CID 164637095

IUPAC1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)CNS(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H19F3N4O2S/c1-8(6-15-21(19,20)17(3)4)7-18-10(11(12,13)14)5-9(2)16-18/h5,8,15H,6-7H2,1-4H3/t8-/m0/s1
InChIKeyXRTCITVPKJWLTL-QMMMGPOBSA-N
MW328.36 g/mol
LogP1.24
Rot. Bonds6

About 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole

1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 164637095) has the molecular formula C11H19F3N4O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole
PubChem CID164637095
Molecular FormulaC11H19F3N4O2S
Molecular Weight328.36 g/mol
Exact Mass328.12
IUPAC Name1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(C[C@@H](C)CNS(=O)(=O)N(C)C)n1
InChIInChI=1S/C11H19F3N4O2S/c1-8(6-15-21(19,20)17(3)4)7-18-10(11(12,13)14)5-9(2)16-18/h5,8,15H,6-7H2,1-4H3/t8-/m0/s1
InChIKeyXRTCITVPKJWLTL-QMMMGPOBSA-N
XLogP1.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-amine
CID 16640649
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 71807775
1-Ethyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)imide
CID 134716401
1-Propyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)imide
CID 134716428
1-Butyl-2,3,5-trimethylpyrazolium bis(trifluoromethylsulfonyl)amide
CID 134716444
3-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 7018524
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-methylpropan-1-amine
CID 23006131
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]methanesulfonamide
CID 49670910
3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-amine
CID 19616567
{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}amine
CID 19615492
1-Ethyl-5-methyl-3-(trifluoromethyl)pyrazole
CID 14770651

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole (CID 164637095) is 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)n(C[C@@H](C)CNS(=O)(=O)N(C)C)n1.
What is the InChIKey of 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is XRTCITVPKJWLTL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19F3N4O2S/c1-8(6-15-21(19,20)17(3)4)7-18-10(11(12,13)14)5-9(2)16-18/h5,8,15H,6-7H2,1-4H3/t8-/m0/s1.
What are the key properties of 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole?
1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 328.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(dimethylsulfamoylamino)-2-methylpropyl]-3-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 164637095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).