2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide

C20H19ClFN3O2 — CID 4172558

IUPAC2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H19ClFN3O2/c1-13-9-16(21)5-8-19(13)27-14(2)20(26)24-18-10-23-25(12-18)11-15-3-6-17(22)7-4-15/h3-10,12,14H,11H2,1-2H3,(H,24,26)
InChIKeyFQEQQOFDISKXTE-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.44
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 4172558) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID4172558
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H19ClFN3O2/c1-13-9-16(21)5-8-19(13)27-14(2)20(26)24-18-10-23-25(12-18)11-15-3-6-17(22)7-4-15/h3-10,12,14H,11H2,1-2H3,(H,24,26)
InChIKeyFQEQQOFDISKXTE-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide 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 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide (CID 4172558) is 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is FQEQQOFDISKXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-13-9-16(21)5-8-19(13)27-14(2)20(26)24-18-10-23-25(12-18)11-15-3-6-17(22)7-4-15/h3-10,12,14H,11H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 387.84 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 4172558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).