2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole

C23H19ClF2N2O2 — CID 118095312

IUPAC2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccccc1C1=NN(c2cccc(Cl)c2)C(c2ccc(OC)c(F)c2F)C1
InChIInChI=1S/C23H19ClF2N2O2/c1-29-20-9-4-3-8-16(20)18-13-19(17-10-11-21(30-2)23(26)22(17)25)28(27-18)15-7-5-6-14(24)12-15/h3-12,19H,13H2,1-2H3
InChIKeyBODAXYDDBCHGIL-UHFFFAOYSA-N
MW428.87 g/mol
LogP5.99
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole

2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 118095312) has the molecular formula C23H19ClF2N2O2 and a molecular weight of 428.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID118095312
Molecular FormulaC23H19ClF2N2O2
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccccc1C1=NN(c2cccc(Cl)c2)C(c2ccc(OC)c(F)c2F)C1
InChIInChI=1S/C23H19ClF2N2O2/c1-29-20-9-4-3-8-16(20)18-13-19(17-10-11-21(30-2)23(26)22(17)25)28(27-18)15-7-5-6-14(24)12-15/h3-12,19H,13H2,1-2H3
InChIKeyBODAXYDDBCHGIL-UHFFFAOYSA-N
XLogP5.99
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 349865
CID 349865
CID 42628051
CID 42628051
CID 2883145
CID 2883145
CID 4419144
CID 4419144
CID 136931814
CID 136931814
CID 136931818
CID 136931818
CID 349866
CID 349866
CID 4053529
CID 4053529
CID 42628053
CID 42628053
CID 118710711
CID 118710711
CID 118095304
CID 118095304
CID 136931811
CID 136931811

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole (CID 118095312) is 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole is COc1ccccc1C1=NN(c2cccc(Cl)c2)C(c2ccc(OC)c(F)c2F)C1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is BODAXYDDBCHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O2/c1-29-20-9-4-3-8-16(20)18-13-19(17-10-11-21(30-2)23(26)22(17)25)28(27-18)15-7-5-6-14(24)12-15/h3-12,19H,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole?
2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 428.87 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 118095312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).