N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

C18H15FN4O3 — CID 24502827

IUPACN'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H15FN4O3/c19-13-8-4-5-9-16(13)26-11-17(24)22-23-18(25)15-10-14(20-21-15)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeySZBVVRIXGPOIBF-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.06
Rot. Bonds5

About N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 24502827) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID24502827
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H15FN4O3/c19-13-8-4-5-9-16(13)26-11-17(24)22-23-18(25)15-10-14(20-21-15)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,21)(H,22,24)(H,23,25)
InChIKeySZBVVRIXGPOIBF-UHFFFAOYSA-N
XLogP2.06
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
N'-(2-naphthalen-2-yloxyacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 40591056
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
3-phenyl-N'-[3-(pyrimidin-2-ylamino)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 55791873
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
N-[(2-fluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17499235
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
N'-[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 42944086
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
N-[(3-fluoro-2-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166179922

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 24502827) is N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(COc1ccccc1F)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is SZBVVRIXGPOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-13-8-4-5-9-16(13)26-11-17(24)22-23-18(25)15-10-14(20-21-15)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 354.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 24502827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).