N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide

C24H21N3O2 — CID 155384804

IUPACN-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1)NO
InChIInChI=1S/C24H21N3O2/c28-22(26-29)17-16-21-23(18-10-4-1-5-11-18)25-27(20-14-8-3-9-15-20)24(21)19-12-6-2-7-13-19/h1-15,29H,16-17H2,(H,26,28)
InChIKeyDSTGFPROXVATPT-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.64
Rot. Bonds6

About N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide

N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide (PubChem CID 155384804) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide
PubChem CID155384804
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1)NO
InChIInChI=1S/C24H21N3O2/c28-22(26-29)17-16-21-23(18-10-4-1-5-11-18)25-27(20-14-8-3-9-15-20)24(21)19-12-6-2-7-13-19/h1-15,29H,16-17H2,(H,26,28)
InChIKeyDSTGFPROXVATPT-UHFFFAOYSA-N
XLogP4.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol
CID 135494350
3-(3,5-diphenyl-1,2-oxazol-4-yl)-N-hydroxypropanamide
CID 155384809
4-[4-(2-methylpropyl)-1,3-diphenylpyrazol-5-yl]phenol
CID 135430134
2-[1-(3,4-dimethylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
CID 20542757
2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
CID 555892
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
CID 10614604
1,3,4-triphenylpyrazole-5-carboxylic acid
CID 15566290
1,3,5-triphenyl-4-pyrazol-1-ylpyrazole
CID 57355521
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide?
The IUPAC name of N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide (CID 155384804) is N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide is O=C(CCc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1)NO.
What is the InChIKey of N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide?
The InChIKey is DSTGFPROXVATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-22(26-29)17-16-21-23(18-10-4-1-5-11-18)25-27(20-14-8-3-9-15-20)24(21)19-12-6-2-7-13-19/h1-15,29H,16-17H2,(H,26,28).
What are the key properties of N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide?
N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide has a molecular weight of 383.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 155384804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).