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

C19H16F3N3O2 — CID 123240428

IUPAC[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate
SMILESCc1cccc(-n2nc(C(F)(F)F)cc2COC(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H16F3N3O2/c1-13-6-5-9-15(10-13)25-16(11-17(24-25)19(20,21)22)12-27-18(26)23-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,23,26)
InChIKeyNUIPQKBZZWTQBB-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.95
Rot. Bonds4

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

[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate (PubChem CID 123240428) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate
PubChem CID123240428
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate
SMILESCc1cccc(-n2nc(C(F)(F)F)cc2COC(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H16F3N3O2/c1-13-6-5-9-15(10-13)25-16(11-17(24-25)19(20,21)22)12-27-18(26)23-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,23,26)
InChIKeyNUIPQKBZZWTQBB-UHFFFAOYSA-N
XLogP4.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate?
The IUPAC name of [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate (CID 123240428) is [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate?
The canonical SMILES for [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate is Cc1cccc(-n2nc(C(F)(F)F)cc2COC(=O)Nc2ccccc2)c1.
What is the InChIKey of [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate?
The InChIKey is NUIPQKBZZWTQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-13-6-5-9-15(10-13)25-16(11-17(24-25)19(20,21)22)12-27-18(26)23-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,23,26).
What are the key properties of [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate?
[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate has a molecular weight of 375.35 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 123240428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).