5-fluoro-4-methyl-3-phenyl-1H-pyrazole

C10H9FN2 — CID 132608957

IUPAC5-fluoro-4-methyl-3-phenyl-1H-pyrazole
SMILESCc1c(-c2ccccc2)n[nH]c1F
InChIInChI=1S/C10H9FN2/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)
InChIKeyUMDUXUCDAPPRFA-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.52
Rot. Bonds1

About 5-fluoro-4-methyl-3-phenyl-1H-pyrazole

5-fluoro-4-methyl-3-phenyl-1H-pyrazole (PubChem CID 132608957) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 5-fluoro-4-methyl-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-fluoro-4-methyl-3-phenyl-1H-pyrazole
PubChem CID132608957
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name5-fluoro-4-methyl-3-phenyl-1H-pyrazole
SMILESCc1c(-c2ccccc2)n[nH]c1F
InChIInChI=1S/C10H9FN2/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)
InChIKeyUMDUXUCDAPPRFA-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.52
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
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
3-methyl-1H-indazole
CID 820804
3-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo(4,3-c)pyridine
CID 16671966
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
3,4-diphenyl-1H-pyrazol-5-amine
CID 737137
4-Methyl-3-phenyl-1H-pyrazole
CID 283921

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-3-phenyl-1H-pyrazole?
The IUPAC name of 5-fluoro-4-methyl-3-phenyl-1H-pyrazole (CID 132608957) is 5-fluoro-4-methyl-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-fluoro-4-methyl-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-fluoro-4-methyl-3-phenyl-1H-pyrazole is Cc1c(-c2ccccc2)n[nH]c1F.
What is the InChIKey of 5-fluoro-4-methyl-3-phenyl-1H-pyrazole?
The InChIKey is UMDUXUCDAPPRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-7-9(12-13-10(7)11)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13).
What are the key properties of 5-fluoro-4-methyl-3-phenyl-1H-pyrazole?
5-fluoro-4-methyl-3-phenyl-1H-pyrazole has a molecular weight of 176.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-3-phenyl-1H-pyrazole is sourced from PubChem (CID 132608957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).