3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide

C9H13F3N4O2S — CID 106218688

IUPAC3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N4O2S/c1-5-7(6(4-13)15-14-5)19(17,18)16-8(2-3-8)9(10,11)12/h16H,2-4,13H2,1H3,(H,14,15)
InChIKeyVQGKPMOJMPPQIO-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.55
Rot. Bonds4

About 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106218688) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide
PubChem CID106218688
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N4O2S/c1-5-7(6(4-13)15-14-5)19(17,18)16-8(2-3-8)9(10,11)12/h16H,2-4,13H2,1H3,(H,14,15)
InChIKeyVQGKPMOJMPPQIO-UHFFFAOYSA-N
XLogP0.55
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217438
3-(aminomethyl)-N-(2-ethylcyclopropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114109939
5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 106219411
3-(aminomethyl)-5-methyl-N-(4-methylsulfanylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 106090808
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
3-(aminomethyl)-5-methyl-N-(thian-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106072257
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055948
3-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106085721
3-(aminomethyl)-5-methyl-N-(thiolan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 114142517
3-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055214
3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106018303
3-(aminomethyl)-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 106095133

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide (CID 106218688) is 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VQGKPMOJMPPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-5-7(6(4-13)15-14-5)19(17,18)16-8(2-3-8)9(10,11)12/h16H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106218688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).