[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate

C9H12F3N3O2 — CID 3779301

IUPAC[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C9H12F3N3O2/c1-3-4-13-8(16)17-7-5-6(9(10,11)12)15(2)14-7/h5H,3-4H2,1-2H3,(H,13,16)
InChIKeyGTCVIHJCXFLQBK-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.94
Rot. Bonds3

About [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate

[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate (PubChem CID 3779301) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate.

Molecular Properties

Compound Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate
PubChem CID3779301
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate
SMILESCCCNC(=O)Oc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C9H12F3N3O2/c1-3-4-13-8(16)17-7-5-6(9(10,11)12)15(2)14-7/h5H,3-4H2,1-2H3,(H,13,16)
InChIKeyGTCVIHJCXFLQBK-UHFFFAOYSA-N
XLogP1.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate 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 [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate?
The IUPAC name of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate (CID 3779301) is [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate.
What is the SMILES notation for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate?
The canonical SMILES for [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate is CCCNC(=O)Oc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate?
The InChIKey is GTCVIHJCXFLQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-3-4-13-8(16)17-7-5-6(9(10,11)12)15(2)14-7/h5H,3-4H2,1-2H3,(H,13,16).
What are the key properties of [1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate?
[1-methyl-5-(trifluoromethyl)pyrazol-3-yl] N-propylcarbamate has a molecular weight of 251.21 g/mol, XLogP of 1.94, 3 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-propylcarbamate is sourced from PubChem (CID 3779301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).