3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide

C13H14N4O2 — CID 2677236

IUPAC3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
SMILESCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H14N4O2/c1-2-12(18)16-17-13(19)11-8-10(14-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyUWJOHBLUGFJQOY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.25
Rot. Bonds3

About 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide

3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide (PubChem CID 2677236) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
PubChem CID2677236
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
SMILESCCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C13H14N4O2/c1-2-12(18)16-17-13(19)11-8-10(14-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyUWJOHBLUGFJQOY-UHFFFAOYSA-N
XLogP1.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 55791873
N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 40591056
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24541013
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
4-bromo-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]benzamide
CID 35945015
N'-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689384

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide (CID 2677236) is 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide is CCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is UWJOHBLUGFJQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-12(18)16-17-13(19)11-8-10(14-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide?
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 258.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 2677236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).