[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate

C12H9F4N3O2 — CID 1480839

IUPAC[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate
SMILESCn1nc(OC(=O)Nc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C12H9F4N3O2/c1-19-9(12(14,15)16)6-10(18-19)21-11(20)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,20)
InChIKeyWBSYKFLPHFKFQT-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.19
Rot. Bonds2

About [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate

[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate (PubChem CID 1480839) has the molecular formula C12H9F4N3O2 and a molecular weight of 303.22 g/mol. Its IUPAC name is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate
PubChem CID1480839
Molecular FormulaC12H9F4N3O2
Molecular Weight303.22 g/mol
Exact Mass303.06
IUPAC Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate
SMILESCn1nc(OC(=O)Nc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C12H9F4N3O2/c1-19-9(12(14,15)16)6-10(18-19)21-11(20)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,20)
InChIKeyWBSYKFLPHFKFQT-UHFFFAOYSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate (CID 1480839) is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate is Cn1nc(OC(=O)Nc2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate?
The InChIKey is WBSYKFLPHFKFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O2/c1-19-9(12(14,15)16)6-10(18-19)21-11(20)17-8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,20).
What are the key properties of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate?
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate has a molecular weight of 303.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 1480839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).