1-[(2-fluorophenyl)methyl]pyrazole

C10H9FN2 — CID 57080327

IUPAC1-[(2-fluorophenyl)methyl]pyrazole
SMILESFc1ccccc1Cn1cccn1
InChIInChI=1S/C10H9FN2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8H2
InChIKeyNMHBGWLSYYPGTP-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.07
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]pyrazole

1-[(2-fluorophenyl)methyl]pyrazole (PubChem CID 57080327) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]pyrazole
PubChem CID57080327
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name1-[(2-fluorophenyl)methyl]pyrazole
SMILESFc1ccccc1Cn1cccn1
InChIInChI=1S/C10H9FN2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8H2
InChIKeyNMHBGWLSYYPGTP-UHFFFAOYSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]pyrazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]pyrazole (CID 57080327) is 1-[(2-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]pyrazole is Fc1ccccc1Cn1cccn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]pyrazole?
The InChIKey is NMHBGWLSYYPGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-10-5-2-1-4-9(10)8-13-7-3-6-12-13/h1-7H,8H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]pyrazole?
1-[(2-fluorophenyl)methyl]pyrazole has a molecular weight of 176.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 57080327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).