3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole

C11H11FN2 — CID 82075520

IUPAC3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole
SMILESCc1cc(Cc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H11FN2/c1-8-6-11(14-13-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyICIAWGZCKYGJQG-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.45
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole

3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole (PubChem CID 82075520) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole
PubChem CID82075520
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole
SMILESCc1cc(Cc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C11H11FN2/c1-8-6-11(14-13-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,14)
InChIKeyICIAWGZCKYGJQG-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
3-methyl-1H-indazole
CID 820804
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
3-(4-bromophenyl)-5-methyl-1H-pyrazole
CID 1487504
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
4-bromo-3-methyl-5-phenyl-1H-pyrazole
CID 744335

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole (CID 82075520) is 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole is Cc1cc(Cc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole?
The InChIKey is ICIAWGZCKYGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c1-8-6-11(14-13-8)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole?
3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 82075520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).