1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole

C11H10FIN2 — CID 79787093

IUPAC1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole
SMILESCc1cn(Cc2ccc(F)cc2)nc1I
InChIInChI=1S/C11H10FIN2/c1-8-6-15(14-11(8)13)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
InChIKeyVETVLKIVKILYAD-UHFFFAOYSA-N
MW316.12 g/mol
LogP2.98
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole

1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole (PubChem CID 79787093) has the molecular formula C11H10FIN2 and a molecular weight of 316.12 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole
PubChem CID79787093
Molecular FormulaC11H10FIN2
Molecular Weight316.12 g/mol
Exact Mass315.99
IUPAC Name1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole
SMILESCc1cn(Cc2ccc(F)cc2)nc1I
InChIInChI=1S/C11H10FIN2/c1-8-6-15(14-11(8)13)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3
InChIKeyVETVLKIVKILYAD-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole 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

methyl 1-[(4-fluorophenyl)methyl]-4-methylpyrazole-3-carboxylate
CID 130267404
1-[(4-chloro-2-fluorophenyl)methyl]-3-iodo-4-methylpyrazole
CID 114862489
4-chloro-1-[(4-ethylphenyl)methyl]-3-iodopyrazole
CID 79785537
1-[(4-fluorophenyl)methyl]-3-methyl-4-nitropyrazole
CID 75500187
1-(2-fluoroethyl)-3-iodo-4-methylpyrazole
CID 80696922
2-[(4-fluorophenyl)methyl]indazole
CID 66772041
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
4-bromo-1-[(4-bromophenyl)methyl]-3-iodopyrazole
CID 79784994
3-iodo-1-[(4-methoxyphenyl)methyl]-4-methylpyrazole;5-iodo-1-[(4-methoxyphenyl)methyl]-4-methylpyrazole;4-methyl-1H-pyrazole
CID 157451349
4-bromo-3-iodo-1-[(4-propan-2-ylphenyl)methyl]pyrazole
CID 79784426
4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole
CID 107058851
3-(2,5-dimethylfuran-3-yl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 83203755

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole (CID 79787093) is 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole is Cc1cn(Cc2ccc(F)cc2)nc1I.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole?
The InChIKey is VETVLKIVKILYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2/c1-8-6-15(14-11(8)13)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole?
1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole has a molecular weight of 316.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-iodo-4-methylpyrazole is sourced from PubChem (CID 79787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).