4-(4-fluorophenyl)-5-methyl-1H-pyrazole

C10H9FN2 — CID 67563593

IUPAC4-(4-fluorophenyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyXUVCYVPANABQRL-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.52
Rot. Bonds1

About 4-(4-fluorophenyl)-5-methyl-1H-pyrazole

4-(4-fluorophenyl)-5-methyl-1H-pyrazole (PubChem CID 67563593) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-1H-pyrazole
PubChem CID67563593
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name4-(4-fluorophenyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1-c1ccc(F)cc1
InChIInChI=1S/C10H9FN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKeyXUVCYVPANABQRL-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
3-phenyl-1H-pyrazole
CID 17155
4-(4-methylphenyl)-1H-pyrazole
CID 5212048
4-Phenylpyrazole
CID 139106
3-Methyl-4-phenylpyrazol
CID 139601
4-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 201772
4-phenyl-3-(trifluoromethyl)-1H-pyrazole
CID 2740124
5-benzhydryl-1H-pyrazole
CID 2806015
2,4-Dihydroindeno(1,2-C)pyrazole
CID 3392643
7-Methyl-1H-indazole
CID 820797
4-Methyl-1H-indazole
CID 820806

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-1H-pyrazole (CID 67563593) is 4-(4-fluorophenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-1H-pyrazole is Cc1[nH]ncc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-1H-pyrazole?
The InChIKey is XUVCYVPANABQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-7-10(6-12-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13).
What are the key properties of 4-(4-fluorophenyl)-5-methyl-1H-pyrazole?
4-(4-fluorophenyl)-5-methyl-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 4-(4-fluorophenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 67563593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).