N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C28H22N4O3 — CID 59463211

IUPACN-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(c1ccccc1)c1cccc(NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)c1
InChIInChI=1S/C28H22N4O3/c33-26-14-5-4-13-23(26)25-17-24(21-11-7-15-29-18-21)31-32(25)28(35)30-22-12-6-10-20(16-22)27(34)19-8-2-1-3-9-19/h1-16,18,25,33H,17H2,(H,30,35)
InChIKeyGRBDYGFAJOVDAS-UHFFFAOYSA-N
MW462.51 g/mol
LogP5.40
Rot. Bonds5

About N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463211) has the molecular formula C28H22N4O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID59463211
Molecular FormulaC28H22N4O3
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC NameN-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(c1ccccc1)c1cccc(NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)c1
InChIInChI=1S/C28H22N4O3/c33-26-14-5-4-13-23(26)25-17-24(21-11-7-15-29-18-21)31-32(25)28(35)30-22-12-6-10-20(16-22)27(34)19-8-2-1-3-9-19/h1-16,18,25,33H,17H2,(H,30,35)
InChIKeyGRBDYGFAJOVDAS-UHFFFAOYSA-N
XLogP5.40
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyphenyl)-N-(4-methoxy-3-phenylmethoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 68708302
3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 59463119
1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2975411
4-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96563642
3-(2-hydroxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfinamoyl]phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;hydrate
CID 160680362
3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463175
3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463412
N-[2-(2-cyanophenyl)sulfanylphenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463388
3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 71081189
3-(2-hydroxyphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463289
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 54580078
3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane
CID 160987850

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 59463211) is N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(c1ccccc1)c1cccc(NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)c1.
What is the InChIKey of N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is GRBDYGFAJOVDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3/c33-26-14-5-4-13-23(26)25-17-24(21-11-7-15-29-18-21)31-32(25)28(35)30-22-12-6-10-20(16-22)27(34)19-8-2-1-3-9-19/h1-16,18,25,33H,17H2,(H,30,35).
What are the key properties of N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).