N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide

C18H17FN4O3 — CID 9428628

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3ccccc3F)o2)n1
InChIInChI=1S/C18H17FN4O3/c1-11-9-12(2)23(22-11)10-17(24)20-21-18(25)16-8-7-15(26-16)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyCPWNTFBZJFQRFO-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.36
Rot. Bonds4

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide (PubChem CID 9428628) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
PubChem CID9428628
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3ccccc3F)o2)n1
InChIInChI=1S/C18H17FN4O3/c1-11-9-12(2)23(22-11)10-17(24)20-21-18(25)16-8-7-15(26-16)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyCPWNTFBZJFQRFO-UHFFFAOYSA-N
XLogP2.36
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-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

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088640
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-fluoro-1-benzothiophene-2-carbohydrazide
CID 51193400
3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 34390205
2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide
CID 9425057
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 51195541
1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide
CID 29218613
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide (CID 9428628) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3ccccc3F)o2)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide?
The InChIKey is CPWNTFBZJFQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-11-9-12(2)23(22-11)10-17(24)20-21-18(25)16-8-7-15(26-16)13-5-3-4-6-14(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide has a molecular weight of 356.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-(2-fluorophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 9428628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).