[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate

C15H16F3N3O2 — CID 22075438

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccccc1NC(=O)Oc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O2/c1-9(2)10-6-4-5-7-11(10)19-14(22)23-12-8-21(3)20-13(12)15(16,17)18/h4-9H,1-3H3,(H,19,22)
InChIKeyIIVXPCHUVWTTNG-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.17
Rot. Bonds3

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

[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate (PubChem CID 22075438) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate
PubChem CID22075438
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccccc1NC(=O)Oc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O2/c1-9(2)10-6-4-5-7-11(10)19-14(22)23-12-8-21(3)20-13(12)15(16,17)18/h4-9H,1-3H3,(H,19,22)
InChIKeyIIVXPCHUVWTTNG-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate (CID 22075438) is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate is CC(C)c1ccccc1NC(=O)Oc1cn(C)nc1C(F)(F)F.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate?
The InChIKey is IIVXPCHUVWTTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-9(2)10-6-4-5-7-11(10)19-14(22)23-12-8-21(3)20-13(12)15(16,17)18/h4-9H,1-3H3,(H,19,22).
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate?
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate has a molecular weight of 327.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-(2-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 22075438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).