N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide

C26H26N4O3 — CID 118194934

IUPACN-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(Oc3ccncc3)cc2)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C26H26N4O3/c1-26(2,3)23-17-24(30(29-23)19-6-8-20(31)9-7-19)28-25(32)16-18-4-10-21(11-5-18)33-22-12-14-27-15-13-22/h4-15,17,31H,16H2,1-3H3,(H,28,32)
InChIKeySJUDHKYNYYAQIQ-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.24
Rot. Bonds6

About N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide

N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide (PubChem CID 118194934) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide
PubChem CID118194934
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(Oc3ccncc3)cc2)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C26H26N4O3/c1-26(2,3)23-17-24(30(29-23)19-6-8-20(31)9-7-19)28-25(32)16-18-4-10-21(11-5-18)33-22-12-14-27-15-13-22/h4-15,17,31H,16H2,1-3H3,(H,28,32)
InChIKeySJUDHKYNYYAQIQ-UHFFFAOYSA-N
XLogP5.24
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenyl]methoxy]propanamide
CID 87785860
1-[3-tert-butyl-1-[4-(2-methoxyethylamino)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706019
1-[3-tert-butyl-1-[4-(3-hydroxypropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11511705
N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-phenylacetamide
CID 46087859
1-[3-tert-butyl-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 141209874
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 67091317
[1-[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenoxy]-3,3-dimethylbutan-2-yl] carbamate
CID 67221458
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]pentanamide
CID 46114373
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
1-[3-tert-butyl-1-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706834
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46427596
CID 161064894
CID 161064894

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide (CID 118194934) is N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(Oc3ccncc3)cc2)n(-c2ccc(O)cc2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide?
The InChIKey is SJUDHKYNYYAQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-26(2,3)23-17-24(30(29-23)19-6-8-20(31)9-7-19)28-25(32)16-18-4-10-21(11-5-18)33-22-12-14-27-15-13-22/h4-15,17,31H,16H2,1-3H3,(H,28,32).
What are the key properties of N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide?
N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-hydroxyphenyl)pyrazol-5-yl]-2-(4-pyridin-4-yloxyphenyl)acetamide is sourced from PubChem (CID 118194934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).