3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine

C16H15N3 — CID 99964672

IUPAC3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
SMILESCc1ccccc1Cn1ccc(-c2cccnc2)n1
InChIInChI=1S/C16H15N3/c1-13-5-2-3-6-15(13)12-19-10-8-16(18-19)14-7-4-9-17-11-14/h2-11H,12H2,1H3
InChIKeyLOIRAXLQHAYEOD-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.30
Rot. Bonds3

About 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine

3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine (PubChem CID 99964672) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
PubChem CID99964672
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
SMILESCc1ccccc1Cn1ccc(-c2cccnc2)n1
InChIInChI=1S/C16H15N3/c1-13-5-2-3-6-15(13)12-19-10-8-16(18-19)14-7-4-9-17-11-14/h2-11H,12H2,1H3
InChIKeyLOIRAXLQHAYEOD-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29057238
2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione
CID 155798792
[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol
CID 99988035
5-[3-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 28871478
3-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]pyridine-4-carboxamide
CID 169043311
1-[(2-methylphenyl)methyl]-3-nitropyrazole
CID 2979126
3-(1-sulfanylpyrazol-3-yl)pyridine
CID 67474504
3-(1-fluoropyrazol-3-yl)pyridine
CID 174166820
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione
CID 9171111
3-(2-methylphenyl)pyridine
CID 4133191
1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19474492

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine (CID 99964672) is 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine is Cc1ccccc1Cn1ccc(-c2cccnc2)n1.
What is the InChIKey of 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine?
The InChIKey is LOIRAXLQHAYEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-13-5-2-3-6-15(13)12-19-10-8-16(18-19)14-7-4-9-17-11-14/h2-11H,12H2,1H3.
What are the key properties of 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine?
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine has a molecular weight of 249.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 99964672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).