N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

C10H14F3N3O2S — CID 166248629

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-9(2)3-6(9)4-15-19(17,18)7-5-14-16-8(7)10(11,12)13/h5-6,15H,3-4H2,1-2H3,(H,14,16)
InChIKeySLPBGEUCTWPKFW-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.75
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 166248629) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
PubChem CID166248629
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
SMILESCC1(C)CC1CNS(=O)(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-9(2)3-6(9)4-15-19(17,18)7-5-14-16-8(7)10(11,12)13/h5-6,15H,3-4H2,1-2H3,(H,14,16)
InChIKeySLPBGEUCTWPKFW-UHFFFAOYSA-N
XLogP1.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide (CID 166248629) is N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is CC1(C)CC1CNS(=O)(=O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SLPBGEUCTWPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-9(2)3-6(9)4-15-19(17,18)7-5-14-16-8(7)10(11,12)13/h5-6,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide?
N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 166248629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).