2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

C20H17ClFN3O — CID 22176703

IUPAC2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H17ClFN3O/c21-16-10-15(7-8-17(16)22)13-3-1-12(2-4-13)9-20(26)23-19-11-18(24-25-19)14-5-6-14/h1-4,7-8,10-11,14H,5-6,9H2,(H2,23,24,25,26)
InChIKeyQBTPFAJCFXTDNH-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.93
Rot. Bonds5

About 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (PubChem CID 22176703) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
PubChem CID22176703
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H17ClFN3O/c21-16-10-15(7-8-17(16)22)13-3-1-12(2-4-13)9-20(26)23-19-11-18(24-25-19)14-5-6-14/h1-4,7-8,10-11,14H,5-6,9H2,(H2,23,24,25,26)
InChIKeyQBTPFAJCFXTDNH-UHFFFAOYSA-N
XLogP4.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide 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-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (CID 22176703) is 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is O=C(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is QBTPFAJCFXTDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c21-16-10-15(7-8-17(16)22)13-3-1-12(2-4-13)9-20(26)23-19-11-18(24-25-19)14-5-6-14/h1-4,7-8,10-11,14H,5-6,9H2,(H2,23,24,25,26).
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 369.83 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 22176703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).