1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole

C19H19FN6 — CID 56751576

IUPAC1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(F)cc2-c2nccn2CCc2cnc[nH]2)n1
InChIInChI=1S/C19H19FN6/c1-13-9-14(2)26(24-13)18-4-3-15(20)10-17(18)19-22-6-8-25(19)7-5-16-11-21-12-23-16/h3-4,6,8-12H,5,7H2,1-2H3,(H,21,23)
InChIKeyVNDLZKAPHCQDHG-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.46
Rot. Bonds5

About 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole

1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole (PubChem CID 56751576) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole
PubChem CID56751576
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(F)cc2-c2nccn2CCc2cnc[nH]2)n1
InChIInChI=1S/C19H19FN6/c1-13-9-14(2)26(24-13)18-4-3-15(20)10-17(18)19-22-6-8-25(19)7-5-16-11-21-12-23-16/h3-4,6,8-12H,5,7H2,1-2H3,(H,21,23)
InChIKeyVNDLZKAPHCQDHG-UHFFFAOYSA-N
XLogP3.46
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole (CID 56751576) is 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccc(F)cc2-c2nccn2CCc2cnc[nH]2)n1.
What is the InChIKey of 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole?
The InChIKey is VNDLZKAPHCQDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6/c1-13-9-14(2)26(24-13)18-4-3-15(20)10-17(18)19-22-6-8-25(19)7-5-16-11-21-12-23-16/h3-4,6,8-12H,5,7H2,1-2H3,(H,21,23).
What are the key properties of 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole?
1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole has a molecular weight of 350.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[1-[2-(1H-imidazol-5-yl)ethyl]imidazol-2-yl]phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 56751576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).