3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide

C26H25N3O2 — CID 142851628

IUPAC3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide
SMILESCc1ccc(-c2cc(CC(C(N)=O)c3cccc(C)c3)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C26H25N3O2/c1-17-6-8-19(9-7-17)25-16-21(28-29(25)22-10-12-23(30)13-11-22)15-24(26(27)31)20-5-3-4-18(2)14-20/h3-14,16,24,30H,15H2,1-2H3,(H2,27,31)
InChIKeyJOQUYJIZVZGRRJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.67
Rot. Bonds6

About 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide

3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide (PubChem CID 142851628) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide
PubChem CID142851628
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide
SMILESCc1ccc(-c2cc(CC(C(N)=O)c3cccc(C)c3)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C26H25N3O2/c1-17-6-8-19(9-7-17)25-16-21(28-29(25)22-10-12-23(30)13-11-22)15-24(26(27)31)20-5-3-4-18(2)14-20/h3-14,16,24,30H,15H2,1-2H3,(H2,27,31)
InChIKeyJOQUYJIZVZGRRJ-UHFFFAOYSA-N
XLogP4.67
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[5-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoate
CID 23568904
2-(3-methylphenyl)-3-[1-(4-methylphenyl)-5-[4-[methyl(propan-2-yl)amino]phenyl]pyrazol-3-yl]propanoic acid
CID 22171016
3-[5-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid
CID 11743963
3-[1,5-bis(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propane-1-thiol
CID 141136451
[3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoyl]oxyazanium
CID 147689393
2-(3-methylphenyl)-3-[5-(4-phenylmethoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]propanoic acid
CID 22171107
3-[1-(3,4-dichlorophenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-iodophenyl)propanoic acid
CID 10370933
(2R)-3-[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)propanoic acid
CID 58630668
3-[1-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid
CID 59984404
2-(3-methylphenyl)-3-[1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 142851704
methyl 2-[1-methoxy-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-1-oxopropan-2-yl]benzoate
CID 14871173
(E)-5-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-4-(3-methylphenyl)pent-2-enoic acid
CID 22171026

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide?
The IUPAC name of 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide (CID 142851628) is 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide is Cc1ccc(-c2cc(CC(C(N)=O)c3cccc(C)c3)nn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide?
The InChIKey is JOQUYJIZVZGRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-6-8-19(9-7-17)25-16-21(28-29(25)22-10-12-23(30)13-11-22)15-24(26(27)31)20-5-3-4-18(2)14-20/h3-14,16,24,30H,15H2,1-2H3,(H2,27,31).
What are the key properties of 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide?
3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide has a molecular weight of 411.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanamide is sourced from PubChem (CID 142851628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).