N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C9H10F3N3O3S — CID 139018688

IUPACN-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)/C=C/CNC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C9H10F3N3O3S/c1-19(17,18)4-2-3-13-8(16)6-5-7(15-14-6)9(10,11)12/h2,4-5H,3H2,1H3,(H,13,16)(H,14,15)/b4-2+
InChIKeyFVNHRFUROVHIOA-DUXPYHPUSA-N
MW297.26 g/mol
LogP0.72
Rot. Bonds4

About N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 139018688) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID139018688
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC NameN-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCS(=O)(=O)/C=C/CNC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C9H10F3N3O3S/c1-19(17,18)4-2-3-13-8(16)6-5-7(15-14-6)9(10,11)12/h2,4-5H,3H2,1H3,(H,13,16)(H,14,15)/b4-2+
InChIKeyFVNHRFUROVHIOA-DUXPYHPUSA-N
XLogP0.72
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 139018688) is N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CS(=O)(=O)/C=C/CNC(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FVNHRFUROVHIOA-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c1-19(17,18)4-2-3-13-8(16)6-5-7(15-14-6)9(10,11)12/h2,4-5H,3H2,1H3,(H,13,16)(H,14,15)/b4-2+.
What are the key properties of N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 297.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylsulfonylprop-2-enyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 139018688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).