4-(4-fluoro-3-methylphenyl)-1H-pyrazole

C10H9FN2 — CID 118018809

IUPAC4-(4-fluoro-3-methylphenyl)-1H-pyrazole
SMILESCc1cc(-c2cn[nH]c2)ccc1F
InChIInChI=1S/C10H9FN2/c1-7-4-8(2-3-10(7)11)9-5-12-13-6-9/h2-6H,1H3,(H,12,13)
InChIKeyCMNCWZLMUJUMOK-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.52
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-1H-pyrazole

4-(4-fluoro-3-methylphenyl)-1H-pyrazole (PubChem CID 118018809) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-1H-pyrazole
PubChem CID118018809
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name4-(4-fluoro-3-methylphenyl)-1H-pyrazole
SMILESCc1cc(-c2cn[nH]c2)ccc1F
InChIInChI=1S/C10H9FN2/c1-7-4-8(2-3-10(7)11)9-5-12-13-6-9/h2-6H,1H3,(H,12,13)
InChIKeyCMNCWZLMUJUMOK-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-1H-pyrazole (CID 118018809) is 4-(4-fluoro-3-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-1H-pyrazole is Cc1cc(-c2cn[nH]c2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-1H-pyrazole?
The InChIKey is CMNCWZLMUJUMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-7-4-8(2-3-10(7)11)9-5-12-13-6-9/h2-6H,1H3,(H,12,13).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-1H-pyrazole?
4-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 118018809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).