N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C24H19FN6O2 — CID 59463213

IUPACN-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1-n1ccnc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H19FN6O2/c25-17-7-8-21(30-11-10-27-15-30)20(12-17)28-24(33)31-22(18-5-1-2-6-23(18)32)13-19(29-31)16-4-3-9-26-14-16/h1-12,14-15,22,32H,13H2,(H,28,33)
InChIKeyOPBVBACECGSJIM-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.50
Rot. Bonds4

About N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463213) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID59463213
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC NameN-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1-n1ccnc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H19FN6O2/c25-17-7-8-21(30-11-10-27-15-30)20(12-17)28-24(33)31-22(18-5-1-2-6-23(18)32)13-19(29-31)16-4-3-9-26-14-16/h1-12,14-15,22,32H,13H2,(H,28,33)
InChIKeyOPBVBACECGSJIM-UHFFFAOYSA-N
XLogP4.50
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 59463213) is N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cc(F)ccc1-n1ccnc1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is OPBVBACECGSJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c25-17-7-8-21(30-11-10-27-15-30)20(12-17)28-24(33)31-22(18-5-1-2-6-23(18)32)13-19(29-31)16-4-3-9-26-14-16/h1-12,14-15,22,32H,13H2,(H,28,33).
What are the key properties of N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).