1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine

C16H17N3 — CID 146214616

IUPAC1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine
SMILESCc1ccccc1N1C=C(c2cnn(C)c2)C=CC1
InChIInChI=1S/C16H17N3/c1-13-6-3-4-8-16(13)19-9-5-7-14(12-19)15-10-17-18(2)11-15/h3-8,10-12H,9H2,1-2H3
InChIKeyLHOUGZHUESFTCK-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine

1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine (PubChem CID 146214616) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine
PubChem CID146214616
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine
SMILESCc1ccccc1N1C=C(c2cnn(C)c2)C=CC1
InChIInChI=1S/C16H17N3/c1-13-6-3-4-8-16(13)19-9-5-7-14(12-19)15-10-17-18(2)11-15/h3-8,10-12H,9H2,1-2H3
InChIKeyLHOUGZHUESFTCK-UHFFFAOYSA-N
XLogP3.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine?
The IUPAC name of 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine (CID 146214616) is 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine.
What is the SMILES notation for 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine?
The canonical SMILES for 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine is Cc1ccccc1N1C=C(c2cnn(C)c2)C=CC1.
What is the InChIKey of 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine?
The InChIKey is LHOUGZHUESFTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-13-6-3-4-8-16(13)19-9-5-7-14(12-19)15-10-17-18(2)11-15/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine?
1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine has a molecular weight of 251.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-(1-methylpyrazol-4-yl)-2H-pyridine is sourced from PubChem (CID 146214616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).