(4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate

C13H13ClFN3O2 — CID 1472905

IUPAC(4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
SMILESCc1nn(C)c(Cl)c1NC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C13H13ClFN3O2/c1-8-11(12(14)18(2)17-8)16-13(19)20-7-9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyHSUBLTBEATZGRC-UHFFFAOYSA-N
MW297.72 g/mol
LogP3.27
Rot. Bonds3

About (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate

(4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate (PubChem CID 1472905) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
PubChem CID1472905
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name(4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate
SMILESCc1nn(C)c(Cl)c1NC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C13H13ClFN3O2/c1-8-11(12(14)18(2)17-8)16-13(19)20-7-9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H,16,19)
InChIKeyHSUBLTBEATZGRC-UHFFFAOYSA-N
XLogP3.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate?
The IUPAC name of (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate (CID 1472905) is (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate is Cc1nn(C)c(Cl)c1NC(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate?
The InChIKey is HSUBLTBEATZGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-8-11(12(14)18(2)17-8)16-13(19)20-7-9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H,16,19).
What are the key properties of (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate?
(4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate has a molecular weight of 297.72 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-(5-chloro-1,3-dimethylpyrazol-4-yl)carbamate is sourced from PubChem (CID 1472905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).