N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide

C15H11Cl2FN4O — CID 155519503

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1F
InChIInChI=1S/C15H11Cl2FN4O/c16-11-2-1-9(7-12(11)17)22-6-4-14(21-22)20-15(23)10-3-5-19-8-13(10)18/h1-3,5,7-8H,4,6H2,(H,20,21,23)
InChIKeyBFJCLSVLYSYEGL-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.48
Rot. Bonds2

About N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 155519503) has the molecular formula C15H11Cl2FN4O and a molecular weight of 353.18 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide
PubChem CID155519503
Molecular FormulaC15H11Cl2FN4O
Molecular Weight353.18 g/mol
Exact Mass352.03
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1F
InChIInChI=1S/C15H11Cl2FN4O/c16-11-2-1-9(7-12(11)17)22-6-4-14(21-22)20-15(23)10-3-5-19-8-13(10)18/h1-3,5,7-8H,4,6H2,(H,20,21,23)
InChIKeyBFJCLSVLYSYEGL-UHFFFAOYSA-N
XLogP3.48
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide 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 N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide (CID 155519503) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1F.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is BFJCLSVLYSYEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN4O/c16-11-2-1-9(7-12(11)17)22-6-4-14(21-22)20-15(23)10-3-5-19-8-13(10)18/h1-3,5,7-8H,4,6H2,(H,20,21,23).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 353.18 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 155519503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).