benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate

C17H12F3N3O2 — CID 46928460

IUPACbenzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate
SMILESO=C(Nc1cnn(-c2c(F)cc(F)cc2F)c1)OCc1ccccc1
InChIInChI=1S/C17H12F3N3O2/c18-12-6-14(19)16(15(20)7-12)23-9-13(8-21-23)22-17(24)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,22,24)
InChIKeyNBSLBTNVBJMOLL-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.04
Rot. Bonds4

About benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate

benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate (PubChem CID 46928460) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate
PubChem CID46928460
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Namebenzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate
SMILESO=C(Nc1cnn(-c2c(F)cc(F)cc2F)c1)OCc1ccccc1
InChIInChI=1S/C17H12F3N3O2/c18-12-6-14(19)16(15(20)7-12)23-9-13(8-21-23)22-17(24)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,22,24)
InChIKeyNBSLBTNVBJMOLL-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 1489921
CID 1489921
CID 60198610
CID 60198610
CID 3492802
CID 3492802
CID 7841923
CID 7841923
CID 110226268
CID 110226268
CID 177664798
CID 177664798
CID 10154543
CID 10154543
CID 10495292
CID 10495292
CID 10566990
CID 10566990
CID 10615002
CID 10615002
CID 10828739
CID 10828739
CID 10833820
CID 10833820

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate?
The IUPAC name of benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate (CID 46928460) is benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate is O=C(Nc1cnn(-c2c(F)cc(F)cc2F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate?
The InChIKey is NBSLBTNVBJMOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-12-6-14(19)16(15(20)7-12)23-9-13(8-21-23)22-17(24)25-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,22,24).
What are the key properties of benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate?
benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate has a molecular weight of 347.30 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 46928460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).