4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole

C12H10FN5 — CID 56700991

IUPAC4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole
SMILESFc1ccc(-n2cnnc2Cn2cccn2)cc1
InChIInChI=1S/C12H10FN5/c13-10-2-4-11(5-3-10)18-9-14-16-12(18)8-17-7-1-6-15-17/h1-7,9H,8H2
InChIKeyZZRCYTJQDKNGIV-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.65
Rot. Bonds3

About 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole

4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole (PubChem CID 56700991) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole
PubChem CID56700991
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole
SMILESFc1ccc(-n2cnnc2Cn2cccn2)cc1
InChIInChI=1S/C12H10FN5/c13-10-2-4-11(5-3-10)18-9-14-16-12(18)8-17-7-1-6-15-17/h1-7,9H,8H2
InChIKeyZZRCYTJQDKNGIV-UHFFFAOYSA-N
XLogP1.65
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole?
The IUPAC name of 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole (CID 56700991) is 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole is Fc1ccc(-n2cnnc2Cn2cccn2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole?
The InChIKey is ZZRCYTJQDKNGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c13-10-2-4-11(5-3-10)18-9-14-16-12(18)8-17-7-1-6-15-17/h1-7,9H,8H2.
What are the key properties of 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole?
4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole has a molecular weight of 243.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(pyrazol-1-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 56700991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).