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

C18H14F3N3O2 — CID 174715182

IUPACphenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESCc1c(C(F)(F)F)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C18H14F3N3O2/c1-12-15(18(19,20)21)23-24(13-8-4-2-5-9-13)16(12)22-17(25)26-14-10-6-3-7-11-14/h2-11H,1H3,(H,22,25)
InChIKeyVECHPZDHCUQGBO-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.81
Rot. Bonds3

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

phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate (PubChem CID 174715182) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
PubChem CID174715182
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Namephenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESCc1c(C(F)(F)F)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C18H14F3N3O2/c1-12-15(18(19,20)21)23-24(13-8-4-2-5-9-13)16(12)22-17(25)26-14-10-6-3-7-11-14/h2-11H,1H3,(H,22,25)
InChIKeyVECHPZDHCUQGBO-UHFFFAOYSA-N
XLogP4.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate (CID 174715182) is phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate is Cc1c(C(F)(F)F)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The InChIKey is VECHPZDHCUQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-12-15(18(19,20)21)23-24(13-8-4-2-5-9-13)16(12)22-17(25)26-14-10-6-3-7-11-14/h2-11H,1H3,(H,22,25).
What are the key properties of phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate has a molecular weight of 361.32 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 174715182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).