3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane

C26H25N5O4 — CID 160987850

IUPAC3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane
SMILESC.Cc1noc(NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)c1-c1ccc(O)cc1
InChIInChI=1S/C25H21N5O4.CH4/c1-15-23(16-8-10-18(31)11-9-16)24(34-29-15)27-25(33)30-21(19-6-2-3-7-22(19)32)13-20(28-30)17-5-4-12-26-14-17;/h2-12,14,21,31-32H,13H2,1H3,(H,27,33);1H4
InChIKeyTUFGQKJTXULLKY-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.48
Rot. Bonds4

About 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane

3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane (PubChem CID 160987850) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane
PubChem CID160987850
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane
SMILESC.Cc1noc(NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)c1-c1ccc(O)cc1
InChIInChI=1S/C25H21N5O4.CH4/c1-15-23(16-8-10-18(31)11-9-16)24(34-29-15)27-25(33)30-21(19-6-2-3-7-22(19)32)13-20(28-30)17-5-4-12-26-14-17;/h2-12,14,21,31-32H,13H2,1H3,(H,27,33);1H4
InChIKeyTUFGQKJTXULLKY-UHFFFAOYSA-N
XLogP5.48
TPSA124.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2975411
3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463412
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
4-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96563642
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 59463250
N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463211
3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 59463119
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 24965370
3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 68704102
3-(2-hydroxyphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463289
3-(2-hydroxyphenyl)-N-(4-methoxy-3-phenylmethoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 68708302
3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463175

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane?
The IUPAC name of 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) is 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane is C.Cc1noc(NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)c1-c1ccc(O)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane?
The InChIKey is TUFGQKJTXULLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4.CH4/c1-15-23(16-8-10-18(31)11-9-16)24(34-29-15)27-25(33)30-21(19-6-2-3-7-22(19)32)13-20(28-30)17-5-4-12-26-14-17;/h2-12,14,21,31-32H,13H2,1H3,(H,27,33);1H4.
What are the key properties of 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane?
3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane has a molecular weight of 471.52 g/mol, XLogP of 5.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane is sourced from PubChem (CID 160987850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).