[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate

C17H14F3N3O2S — CID 66700161

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate
SMILESCc1ccc(-c2ccsc2NC(=O)Oc2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-10-3-5-11(6-4-10)12-7-8-26-15(12)21-16(24)25-13-9-23(2)22-14(13)17(18,19)20/h3-9H,1-2H3,(H,21,24)
InChIKeySCRNBYACBMYEJR-UHFFFAOYSA-N
MW381.38 g/mol
LogP5.09
Rot. Bonds3

About [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate

[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate (PubChem CID 66700161) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate
PubChem CID66700161
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate
SMILESCc1ccc(-c2ccsc2NC(=O)Oc2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2S/c1-10-3-5-11(6-4-10)12-7-8-26-15(12)21-16(24)25-13-9-23(2)22-14(13)17(18,19)20/h3-9H,1-2H3,(H,21,24)
InChIKeySCRNBYACBMYEJR-UHFFFAOYSA-N
XLogP5.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(trifluoromethyl)-N-[3-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazole-4-carboxamide
CID 18925391
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[2-(4-methylsulfonylphenyl)phenyl]carbamate
CID 69196450
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] hydrogen carbonate
CID 67020523
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] carbamate
CID 68787226
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 58157464
N-(2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008319
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66917224
4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide
CID 136521772
N-[2-(4-chlorophenyl)-6-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 138694028
1-methyl-N-[2-(3-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150231794
[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
CID 66878522
N-(2-fluoro-4-phenylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 166193265

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate (CID 66700161) is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate is Cc1ccc(-c2ccsc2NC(=O)Oc2cn(C)nc2C(F)(F)F)cc1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate?
The InChIKey is SCRNBYACBMYEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-10-3-5-11(6-4-10)12-7-8-26-15(12)21-16(24)25-13-9-23(2)22-14(13)17(18,19)20/h3-9H,1-2H3,(H,21,24).
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate?
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate has a molecular weight of 381.38 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[3-(4-methylphenyl)thiophen-2-yl]carbamate is sourced from PubChem (CID 66700161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).