3-(1-benzylpyrazol-4-yl)pyridine

C15H13N3 — CID 42628230

IUPAC3-(1-benzylpyrazol-4-yl)pyridine
SMILESc1ccc(Cn2cc(-c3cccnc3)cn2)cc1
InChIInChI=1S/C15H13N3/c1-2-5-13(6-3-1)11-18-12-15(10-17-18)14-7-4-8-16-9-14/h1-10,12H,11H2
InChIKeyTXDZRQRPSRKJRW-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.99
Rot. Bonds3

About 3-(1-benzylpyrazol-4-yl)pyridine

3-(1-benzylpyrazol-4-yl)pyridine (PubChem CID 42628230) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)pyridine
PubChem CID42628230
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name3-(1-benzylpyrazol-4-yl)pyridine
SMILESc1ccc(Cn2cc(-c3cccnc3)cn2)cc1
InChIInChI=1S/C15H13N3/c1-2-5-13(6-3-1)11-18-12-15(10-17-18)14-7-4-8-16-9-14/h1-10,12H,11H2
InChIKeyTXDZRQRPSRKJRW-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenylpyridine
CID 13886
4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
GW-6604
CID 9861063
1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
CID 25333445
3,3'-Bipyridine
CID 68487
1-benzyl-4-(1H-pyrrol-1-yl)piperidine
CID 2779264
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
3-(1H-pyrrol-1-ylmethyl)pyridine
CID 697607
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}pyridine
CID 4450788
3-[(Z)-2-phenylvinyl]pyridine
CID 6540056
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)pyridine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)pyridine (CID 42628230) is 3-(1-benzylpyrazol-4-yl)pyridine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)pyridine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)pyridine is c1ccc(Cn2cc(-c3cccnc3)cn2)cc1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)pyridine?
The InChIKey is TXDZRQRPSRKJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-5-13(6-3-1)11-18-12-15(10-17-18)14-7-4-8-16-9-14/h1-10,12H,11H2.
What are the key properties of 3-(1-benzylpyrazol-4-yl)pyridine?
3-(1-benzylpyrazol-4-yl)pyridine has a molecular weight of 235.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)pyridine is sourced from PubChem (CID 42628230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).