2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine

C19H15FN4 — CID 69351052

IUPAC2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc[nH]3)c2)n1
InChIInChI=1S/C19H15FN4/c1-12-4-2-5-18(23-12)19-15(11-22-24-19)13-7-8-16(20)14(10-13)17-6-3-9-21-17/h2-11,21H,1H3,(H,22,24)
InChIKeyHKZNYDNMNQGXDQ-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.58
Rot. Bonds3

About 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine

2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine (PubChem CID 69351052) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
PubChem CID69351052
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc[nH]3)c2)n1
InChIInChI=1S/C19H15FN4/c1-12-4-2-5-18(23-12)19-15(11-22-24-19)13-7-8-16(20)14(10-13)17-6-3-9-21-17/h2-11,21H,1H3,(H,22,24)
InChIKeyHKZNYDNMNQGXDQ-UHFFFAOYSA-N
XLogP4.58
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine?
The IUPAC name of 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine (CID 69351052) is 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc[nH]3)c2)n1.
What is the InChIKey of 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine?
The InChIKey is HKZNYDNMNQGXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-12-4-2-5-18(23-12)19-15(11-22-24-19)13-7-8-16(20)14(10-13)17-6-3-9-21-17/h2-11,21H,1H3,(H,22,24).
What are the key properties of 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine?
2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine has a molecular weight of 318.36 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-3-(1H-pyrrol-2-yl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine is sourced from PubChem (CID 69351052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).