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

C15H11Cl2FN4O — CID 155545289

IUPACN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1F
InChIInChI=1S/C15H11Cl2FN4O/c16-11-4-3-9(8-12(11)17)22-7-5-13(21-22)20-15(23)10-2-1-6-19-14(10)18/h1-4,6,8H,5,7H2,(H,20,21,23)
InChIKeyKVRQXSOICNUXSD-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.48
Rot. Bonds2

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

N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide (PubChem CID 155545289) 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]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide
PubChem CID155545289
Molecular FormulaC15H11Cl2FN4O
Molecular Weight353.18 g/mol
Exact Mass352.03
IUPAC NameN-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide
SMILESO=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1F
InChIInChI=1S/C15H11Cl2FN4O/c16-11-4-3-9(8-12(11)17)22-7-5-13(21-22)20-15(23)10-2-1-6-19-14(10)18/h1-4,6,8H,5,7H2,(H,20,21,23)
InChIKeyKVRQXSOICNUXSD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide (CID 155545289) is N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide is O=C(NC1=NN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1F.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide?
The InChIKey is KVRQXSOICNUXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN4O/c16-11-4-3-9(8-12(11)17)22-7-5-13(21-22)20-15(23)10-2-1-6-19-14(10)18/h1-4,6,8H,5,7H2,(H,20,21,23).
What are the key properties of N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-carboxamide?
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]-2-fluoropyridine-3-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]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 155545289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).