N',1,3-triphenylpyrazole-4-carbohydrazide

C22H18N4O — CID 78775028

IUPACN',1,3-triphenylpyrazole-4-carbohydrazide
SMILESO=C(NNc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H18N4O/c27-22(24-23-18-12-6-2-7-13-18)20-16-26(19-14-8-3-9-15-19)25-21(20)17-10-4-1-5-11-17/h1-16,23H,(H,24,27)
InChIKeyFSDGIKHEOXEYAF-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.30
Rot. Bonds5

About N',1,3-triphenylpyrazole-4-carbohydrazide

N',1,3-triphenylpyrazole-4-carbohydrazide (PubChem CID 78775028) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N',1,3-triphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN',1,3-triphenylpyrazole-4-carbohydrazide
PubChem CID78775028
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN',1,3-triphenylpyrazole-4-carbohydrazide
SMILESO=C(NNc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H18N4O/c27-22(24-23-18-12-6-2-7-13-18)20-16-26(19-14-8-3-9-15-19)25-21(20)17-10-4-1-5-11-17/h1-16,23H,(H,24,27)
InChIKeyFSDGIKHEOXEYAF-UHFFFAOYSA-N
XLogP4.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
CID 78774712
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
CID 2431760
N'-[1-(2-fluorophenyl)ethenyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2425845
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N'-(1,3-diphenylpyrazole-4-carbonyl)-2,3-dimethylquinoxaline-6-carbohydrazide
CID 55386846
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N'-(1,3-diphenylpyrazole-4-carbonyl)-2-methylsulfanylpyridine-3-carbohydrazide
CID 24512663
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
2-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
CID 69067763

Frequently Asked Questions

What is the IUPAC name of N',1,3-triphenylpyrazole-4-carbohydrazide?
The IUPAC name of N',1,3-triphenylpyrazole-4-carbohydrazide (CID 78775028) is N',1,3-triphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N',1,3-triphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N',1,3-triphenylpyrazole-4-carbohydrazide is O=C(NNc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N',1,3-triphenylpyrazole-4-carbohydrazide?
The InChIKey is FSDGIKHEOXEYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(24-23-18-12-6-2-7-13-18)20-16-26(19-14-8-3-9-15-19)25-21(20)17-10-4-1-5-11-17/h1-16,23H,(H,24,27).
What are the key properties of N',1,3-triphenylpyrazole-4-carbohydrazide?
N',1,3-triphenylpyrazole-4-carbohydrazide has a molecular weight of 354.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',1,3-triphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 78775028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).