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

C10H9FN2 — CID 155794568

IUPAC4-[(3-fluorophenyl)methyl]-1H-pyrazole
SMILESFc1cccc(Cc2cn[nH]c2)c1
InChIInChI=1S/C10H9FN2/c11-10-3-1-2-8(5-10)4-9-6-12-13-7-9/h1-3,5-7H,4H2,(H,12,13)
InChIKeyQKUZNCJSVGLQEJ-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.14
Rot. Bonds2

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

4-[(3-fluorophenyl)methyl]-1H-pyrazole (PubChem CID 155794568) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-1H-pyrazole
PubChem CID155794568
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name4-[(3-fluorophenyl)methyl]-1H-pyrazole
SMILESFc1cccc(Cc2cn[nH]c2)c1
InChIInChI=1S/C10H9FN2/c11-10-3-1-2-8(5-10)4-9-6-12-13-7-9/h1-3,5-7H,4H2,(H,12,13)
InChIKeyQKUZNCJSVGLQEJ-UHFFFAOYSA-N
XLogP2.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Phenyl-1H-pyrazol-5-amine
CID 79703
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
4-Methyl-3-phenyl-1H-pyrazole
CID 283921
2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 11196322
N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
CID 86304614
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
5-(4-methylphenyl)-1H-pyrazole
CID 2725023

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-1H-pyrazole?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-1H-pyrazole (CID 155794568) is 4-[(3-fluorophenyl)methyl]-1H-pyrazole.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-1H-pyrazole?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-1H-pyrazole is Fc1cccc(Cc2cn[nH]c2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-1H-pyrazole?
The InChIKey is QKUZNCJSVGLQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-10-3-1-2-8(5-10)4-9-6-12-13-7-9/h1-3,5-7H,4H2,(H,12,13).
What are the key properties of 4-[(3-fluorophenyl)methyl]-1H-pyrazole?
4-[(3-fluorophenyl)methyl]-1H-pyrazole has a molecular weight of 176.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-1H-pyrazole is sourced from PubChem (CID 155794568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).