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

C14H14F3N3O3 — CID 5124247

IUPAC(4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCOc1ccc(COC(=O)Nc2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O3/c1-20-7-11(12(19-20)14(15,16)17)18-13(21)23-8-9-3-5-10(22-2)6-4-9/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyCZMDHRHHTNBKSW-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.20
Rot. Bonds4

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

(4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate (PubChem CID 5124247) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
PubChem CID5124247
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Name(4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCOc1ccc(COC(=O)Nc2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O3/c1-20-7-11(12(19-20)14(15,16)17)18-13(21)23-8-9-3-5-10(22-2)6-4-9/h3-7H,8H2,1-2H3,(H,18,21)
InChIKeyCZMDHRHHTNBKSW-UHFFFAOYSA-N
XLogP3.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate (CID 5124247) is (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate is COc1ccc(COC(=O)Nc2cn(C)nc2C(F)(F)F)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
The InChIKey is CZMDHRHHTNBKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-20-7-11(12(19-20)14(15,16)17)18-13(21)23-8-9-3-5-10(22-2)6-4-9/h3-7H,8H2,1-2H3,(H,18,21).
What are the key properties of (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate?
(4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate has a molecular weight of 329.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 5124247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).