2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine

C27H28FN3 — CID 155908888

IUPAC2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine
SMILESCC(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-n2cccn2)c1
InChIInChI=1S/C27H28FN3/c1-18(2)19-7-10-23(26(15-19)31-14-6-13-30-31)22-11-8-20(27(3,4)5)16-24(22)25-12-9-21(28)17-29-25/h6-18H,1-5H3
InChIKeyUBVFSDYPWVABIQ-UHFFFAOYSA-N
MW413.54 g/mol
LogP7.16
Rot. Bonds4

About 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine

2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine (PubChem CID 155908888) has the molecular formula C27H28FN3 and a molecular weight of 413.54 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine
PubChem CID155908888
Molecular FormulaC27H28FN3
Molecular Weight413.54 g/mol
Exact Mass413.23
IUPAC Name2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine
SMILESCC(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-n2cccn2)c1
InChIInChI=1S/C27H28FN3/c1-18(2)19-7-10-23(26(15-19)31-14-6-13-30-31)22-11-8-20(27(3,4)5)16-24(22)25-12-9-21(28)17-29-25/h6-18H,1-5H3
InChIKeyUBVFSDYPWVABIQ-UHFFFAOYSA-N
XLogP7.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.54
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nerispirdine
CID 3081185
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
(NE)-N-[5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11616462
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
(NE)-N-[5-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 44586991
(NE)-N-[5-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 135508240
Nerispirdine hydrochloride
CID 9818503
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine (CID 155908888) is 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine is CC(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ccc(F)cn2)c(-n2cccn2)c1.
What is the InChIKey of 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine?
The InChIKey is UBVFSDYPWVABIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3/c1-18(2)19-7-10-23(26(15-19)31-14-6-13-30-31)22-11-8-20(27(3,4)5)16-24(22)25-12-9-21(28)17-29-25/h6-18H,1-5H3.
What are the key properties of 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine has a molecular weight of 413.54 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-(4-propan-2-yl-2-pyrazol-1-ylphenyl)phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).