2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine

C11H13N3 — CID 130571681

IUPAC2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine
SMILESCc1ccn(Cc2cccnc2C)n1
InChIInChI=1S/C11H13N3/c1-9-5-7-14(13-9)8-11-4-3-6-12-10(11)2/h3-7H,8H2,1-2H3
InChIKeyXGKCTLMQKMQNLM-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.94
Rot. Bonds2

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

2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine (PubChem CID 130571681) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine
PubChem CID130571681
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine
SMILESCc1ccn(Cc2cccnc2C)n1
InChIInChI=1S/C11H13N3/c1-9-5-7-14(13-9)8-11-4-3-6-12-10(11)2/h3-7H,8H2,1-2H3
InChIKeyXGKCTLMQKMQNLM-UHFFFAOYSA-N
XLogP1.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
ethane;3-ethyl-2-methylpyridine
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1-ethyl-3-methylpyrazole
CID 12002774
3-[2-[(3-methylpyrazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77037681
2-methyl-3-propylpyridine
CID 18662893
[2-(3-methylpyrazol-1-yl)-3-pyridinyl]methanol
CID 62490554
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
argon;ethane;1-ethyl-3-methylpyrazole
CID 160730731
3-(3-chloropropyl)-2-methylpyridine
CID 86128501

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine (CID 130571681) is 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine is Cc1ccn(Cc2cccnc2C)n1.
What is the InChIKey of 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine?
The InChIKey is XGKCTLMQKMQNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-5-7-14(13-9)8-11-4-3-6-12-10(11)2/h3-7H,8H2,1-2H3.
What are the key properties of 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine?
2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine has a molecular weight of 187.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 130571681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).