4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide

C11H17F3N4O2S — CID 106218696

IUPAC4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)NCc1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N4O2S/c1-7(2)15-5-8-6-16-17-9(8)21(19,20)18-10(3-4-10)11(12,13)14/h6-7,15,18H,3-5H2,1-2H3,(H,16,17)
InChIKeyBBBWFNUQIGLHBK-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.28
Rot. Bonds6

About 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide

4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106218696) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide
PubChem CID106218696
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)NCc1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N4O2S/c1-7(2)15-5-8-6-16-17-9(8)21(19,20)18-10(3-4-10)11(12,13)14/h6-7,15,18H,3-5H2,1-2H3,(H,16,17)
InChIKeyBBBWFNUQIGLHBK-UHFFFAOYSA-N
XLogP1.28
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 176380993
4-(chloromethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65754524
4-(chloromethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65754920
N-methyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65773206
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65773390
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65773396
4-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65773767
4-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65774355
N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65774539
N-cyclopropyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65784240
4-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65784435
4-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 65784595

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide (CID 106218696) is 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide is CC(C)NCc1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is BBBWFNUQIGLHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-7(2)15-5-8-6-16-17-9(8)21(19,20)18-10(3-4-10)11(12,13)14/h6-7,15,18H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide?
4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106218696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).