N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

C20H17FN4O2 — CID 55558621

IUPACN'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H17FN4O2/c21-15-8-6-14(7-9-15)20(10-11-20)19(27)25-24-18(26)17-12-16(22-23-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H,24,26)(H,25,27)
InChIKeyGLGLRAIHEVEYTE-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.71
Rot. Bonds4

About N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 55558621) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID55558621
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H17FN4O2/c21-15-8-6-14(7-9-15)20(10-11-20)19(27)25-24-18(26)17-12-16(22-23-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H,24,26)(H,25,27)
InChIKeyGLGLRAIHEVEYTE-UHFFFAOYSA-N
XLogP2.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.71
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'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 86922647
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
N'-(2-bromobenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27672307
N'-(2,2-diphenylacetyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 4787905
3-phenyl-N'-(thiophene-3-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 40671857
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
6-oxo-N'-(3-phenyl-1H-pyrazole-5-carbonyl)-4,5-dihydro-1H-pyridazine-3-carbohydrazide
CID 4845852
1-(4-fluorophenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropan-1-amine
CID 167879943

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 55558621) is N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is GLGLRAIHEVEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-15-8-6-14(7-9-15)20(10-11-20)19(27)25-24-18(26)17-12-16(22-23-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)(H,24,26)(H,25,27).
What are the key properties of N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 364.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 55558621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).