1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide

C14H15FN4O2 — CID 78863955

IUPAC1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C14H15FN4O2/c1-9(2)13(20)16-17-14(21)11-7-8-19(18-11)12-6-4-3-5-10(12)15/h3-9H,1-2H3,(H,16,20)(H,17,21)
InChIKeyMMVKCWUWABPWSE-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.43
Rot. Bonds3

About 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide

1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide (PubChem CID 78863955) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
PubChem CID78863955
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C14H15FN4O2/c1-9(2)13(20)16-17-14(21)11-7-8-19(18-11)12-6-4-3-5-10(12)15/h3-9H,1-2H3,(H,16,20)(H,17,21)
InChIKeyMMVKCWUWABPWSE-UHFFFAOYSA-N
XLogP1.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651530
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066
1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide
CID 75466680
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 98774835
2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119213154
1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64780581

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide?
The IUPAC name of 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide (CID 78863955) is 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide is CC(C)C(=O)NNC(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide?
The InChIKey is MMVKCWUWABPWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-9(2)13(20)16-17-14(21)11-7-8-19(18-11)12-6-4-3-5-10(12)15/h3-9H,1-2H3,(H,16,20)(H,17,21).
What are the key properties of 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide?
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide has a molecular weight of 290.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 78863955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).