N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C16H18F3N3O2S — CID 71808638

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1C1CC1
InChIInChI=1S/C16H18F3N3O2S/c1-22-15(12-4-5-12)8-14(21-22)9-20-25(23,24)10-11-2-6-13(7-3-11)16(17,18)19/h2-3,6-8,12,20H,4-5,9-10H2,1H3
InChIKeyYDMLMNITGYUHRM-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.94
Rot. Bonds6

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71808638) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71808638
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1C1CC1
InChIInChI=1S/C16H18F3N3O2S/c1-22-15(12-4-5-12)8-14(21-22)9-20-25(23,24)10-11-2-6-13(7-3-11)16(17,18)19/h2-3,6-8,12,20H,4-5,9-10H2,1H3
InChIKeyYDMLMNITGYUHRM-UHFFFAOYSA-N
XLogP2.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 71808638) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is Cn1nc(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is YDMLMNITGYUHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-22-15(12-4-5-12)8-14(21-22)9-20-25(23,24)10-11-2-6-13(7-3-11)16(17,18)19/h2-3,6-8,12,20H,4-5,9-10H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71808638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).