1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole

C11H8FN5 — CID 58758348

IUPAC1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole
SMILESFc1cc(-n2ccnn2)ccc1-n1cccn1
InChIInChI=1S/C11H8FN5/c12-10-8-9(16-7-5-13-15-16)2-3-11(10)17-6-1-4-14-17/h1-8H
InChIKeyBFILMBSZUWXSNS-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.59
Rot. Bonds2

About 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole

1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole (PubChem CID 58758348) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole
PubChem CID58758348
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole
SMILESFc1cc(-n2ccnn2)ccc1-n1cccn1
InChIInChI=1S/C11H8FN5/c12-10-8-9(16-7-5-13-15-16)2-3-11(10)17-6-1-4-14-17/h1-8H
InChIKeyBFILMBSZUWXSNS-UHFFFAOYSA-N
XLogP1.59
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-fluoro-4-(triazol-1-yl)phenyl]thiomorpholine;propane
CID 91063132
[2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride
CID 68520918
[2-fluoro-5-(triazol-1-yl)phenyl]methanamine
CID 84663836
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
CID 43506232
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine
CID 94830259
4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine
CID 117402200
1-[3-(3-chloropropyl)-4-fluorophenyl]triazole
CID 174934410
2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol
CID 117340384
2-fluoro-5-(triazol-1-yl)pyridine
CID 58128556
1-(2,5-difluorophenyl)triazole
CID 169324324

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole?
The IUPAC name of 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole (CID 58758348) is 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole.
What is the SMILES notation for 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole?
The canonical SMILES for 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole is Fc1cc(-n2ccnn2)ccc1-n1cccn1.
What is the InChIKey of 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole?
The InChIKey is BFILMBSZUWXSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5/c12-10-8-9(16-7-5-13-15-16)2-3-11(10)17-6-1-4-14-17/h1-8H.
What are the key properties of 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole?
1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole has a molecular weight of 229.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole is sourced from PubChem (CID 58758348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).