phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate

C19H16F3N3O3 — CID 123707599

IUPACphenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate
SMILESCc1c(OCC(F)(F)F)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C19H16F3N3O3/c1-13-16(23-18(26)28-15-10-6-3-7-11-15)25(14-8-4-2-5-9-14)24-17(13)27-12-19(20,21)22/h2-11H,12H2,1H3,(H,23,26)
InChIKeyQFBQEJGUVZVUGL-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.73
Rot. Bonds5

About phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate

phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate (PubChem CID 123707599) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate
PubChem CID123707599
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Namephenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate
SMILESCc1c(OCC(F)(F)F)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C19H16F3N3O3/c1-13-16(23-18(26)28-15-10-6-3-7-11-15)25(14-8-4-2-5-9-14)24-17(13)27-12-19(20,21)22/h2-11H,12H2,1H3,(H,23,26)
InChIKeyQFBQEJGUVZVUGL-UHFFFAOYSA-N
XLogP4.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate (CID 123707599) is phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate is Cc1c(OCC(F)(F)F)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate?
The InChIKey is QFBQEJGUVZVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-13-16(23-18(26)28-15-10-6-3-7-11-15)25(14-8-4-2-5-9-14)24-17(13)27-12-19(20,21)22/h2-11H,12H2,1H3,(H,23,26).
What are the key properties of phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate?
phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate has a molecular weight of 391.35 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-methyl-1-phenyl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]carbamate is sourced from PubChem (CID 123707599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).