N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C27H21FN4O2 — CID 59463225

IUPACN-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2F)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C27H21FN4O2/c28-23-12-3-1-10-21(23)18-7-5-9-20(15-18)30-27(34)32-25(22-11-2-4-13-26(22)33)16-24(31-32)19-8-6-14-29-17-19/h1-15,17,25,33H,16H2,(H,30,34)
InChIKeyIRYKFCSTFPFEJX-UHFFFAOYSA-N
MW452.49 g/mol
LogP5.98
Rot. Bonds4

About N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463225) has the molecular formula C27H21FN4O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID59463225
Molecular FormulaC27H21FN4O2
Molecular Weight452.49 g/mol
Exact Mass452.16
IUPAC NameN-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccccc2F)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C27H21FN4O2/c28-23-12-3-1-10-21(23)18-7-5-9-20(15-18)30-27(34)32-25(22-11-2-4-13-26(22)33)16-24(31-32)19-8-6-14-29-17-19/h1-15,17,25,33H,16H2,(H,30,34)
InChIKeyIRYKFCSTFPFEJX-UHFFFAOYSA-N
XLogP5.98
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

US12552799, Example 3-1
CID 166760468
N-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463144
N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxopyridin-3-yl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463146
3-(2-hydroxyphenyl)-N-[6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463151
N-[4-(4-fluorophenoxy)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463173
3-(2-hydroxyphenyl)-N-[6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463191
N-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463208
N-(5-fluoro-2-imidazol-1-ylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463213
N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463217
N-[1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463242
N-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463257
N-[2-(4-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463309

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 59463225) is N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cccc(-c2ccccc2F)c1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is IRYKFCSTFPFEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O2/c28-23-12-3-1-10-21(23)18-7-5-9-20(15-18)30-27(34)32-25(22-11-2-4-13-26(22)33)16-24(31-32)19-8-6-14-29-17-19/h1-15,17,25,33H,16H2,(H,30,34).
What are the key properties of N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).