2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine

C20H21FN4 — CID 168965117

IUPAC2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine
SMILESCC1CC(c2cnc(-c3ccc(F)cc3)cc2-c2ccn(C)n2)CN1
InChIInChI=1S/C20H21FN4/c1-13-9-15(11-22-13)18-12-23-20(14-3-5-16(21)6-4-14)10-17(18)19-7-8-25(2)24-19/h3-8,10,12-13,15,22H,9,11H2,1-2H3
InChIKeyPQMBMKNQJBXSDF-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine

2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine (PubChem CID 168965117) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine
PubChem CID168965117
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine
SMILESCC1CC(c2cnc(-c3ccc(F)cc3)cc2-c2ccn(C)n2)CN1
InChIInChI=1S/C20H21FN4/c1-13-9-15(11-22-13)18-12-23-20(14-3-5-16(21)6-4-14)10-17(18)19-7-8-25(2)24-19/h3-8,10,12-13,15,22H,9,11H2,1-2H3
InChIKeyPQMBMKNQJBXSDF-UHFFFAOYSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
CID 11653652
3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo(1,2-B)Pyrazole
CID 5287525
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
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
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(NE)-N-[5-[1-(3-aminopropyl)-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 11660270
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
2-(6-Methyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44299185

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine (CID 168965117) is 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine is CC1CC(c2cnc(-c3ccc(F)cc3)cc2-c2ccn(C)n2)CN1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine?
The InChIKey is PQMBMKNQJBXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-13-9-15(11-22-13)18-12-23-20(14-3-5-16(21)6-4-14)10-17(18)19-7-8-25(2)24-19/h3-8,10,12-13,15,22H,9,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine?
2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine has a molecular weight of 336.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine is sourced from PubChem (CID 168965117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).