4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine

C15H16N4 — CID 59685582

IUPAC4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
SMILESCc1cc(Cn2cccc2)nc(Cn2cccn2)c1
InChIInChI=1S/C15H16N4/c1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19/h2-10H,11-12H2,1H3
InChIKeyAVVPGICEXOSTIY-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.48
Rot. Bonds4

About 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine

4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine (PubChem CID 59685582) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
PubChem CID59685582
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
SMILESCc1cc(Cn2cccc2)nc(Cn2cccn2)c1
InChIInChI=1S/C15H16N4/c1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19/h2-10H,11-12H2,1H3
InChIKeyAVVPGICEXOSTIY-UHFFFAOYSA-N
XLogP2.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

fluoroplatinum(1+);4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine
CID 59685581
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine;palladium;phenol
CID 59685721
chloropalladium(1+);bis(4-methyl-2-(pyrazol-1-ylmethyl)-6-(2H-pyrrol-2-id-1-ylmethyl)pyridine);palladium;phenol
CID 161033961
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
2-methyl-4-(pyrazol-1-ylmethyl)triazole
CID 130588297
4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 130619188
4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 43664440
N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907352
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
1-[(2,6-dimethylphenyl)methyl]pyrazole
CID 79032553
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The IUPAC name of 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine (CID 59685582) is 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine.
What is the SMILES notation for 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The canonical SMILES for 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine is Cc1cc(Cn2cccc2)nc(Cn2cccn2)c1.
What is the InChIKey of 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The InChIKey is AVVPGICEXOSTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-13-9-14(11-18-6-2-3-7-18)17-15(10-13)12-19-8-4-5-16-19/h2-10H,11-12H2,1H3.
What are the key properties of 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine has a molecular weight of 252.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine is sourced from PubChem (CID 59685582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).