4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole

C15H16FN5 — CID 56712174

IUPAC4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
SMILESCc1nn(Cc2nncn2-c2cccc(F)c2)c(C)c1C
InChIInChI=1S/C15H16FN5/c1-10-11(2)19-21(12(10)3)8-15-18-17-9-20(15)14-6-4-5-13(16)7-14/h4-7,9H,8H2,1-3H3
InChIKeyYESFYDCKDQATKC-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.58
Rot. Bonds3

About 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole

4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole (PubChem CID 56712174) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
PubChem CID56712174
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
SMILESCc1nn(Cc2nncn2-c2cccc(F)c2)c(C)c1C
InChIInChI=1S/C15H16FN5/c1-10-11(2)19-21(12(10)3)8-15-18-17-9-20(15)14-6-4-5-13(16)7-14/h4-7,9H,8H2,1-3H3
InChIKeyYESFYDCKDQATKC-UHFFFAOYSA-N
XLogP2.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-naphthalen-1-yl-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
CID 56722346
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorophenyl)-1,2,4-triazole
CID 56701003
[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 63289261
4-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 64763952
4-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzonitrile
CID 103864159
2-bromo-6-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 167494986
2-fluoro-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 107347654
1-(2,3-dimethylphenyl)-4-[[4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 56705553
[1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methanol
CID 84617796
(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol
CID 95215775
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82396636
4-bromo-1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128749

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole?
The IUPAC name of 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole (CID 56712174) is 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole is Cc1nn(Cc2nncn2-c2cccc(F)c2)c(C)c1C.
What is the InChIKey of 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole?
The InChIKey is YESFYDCKDQATKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-10-11(2)19-21(12(10)3)8-15-18-17-9-20(15)14-6-4-5-13(16)7-14/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole?
4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole has a molecular weight of 285.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 56712174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).