3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine

C14H12N4 — CID 158876961

IUPAC3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine
SMILESCc1cn(-c2cccnc2)nc1-c1ccncc1
InChIInChI=1S/C14H12N4/c1-11-10-18(13-3-2-6-16-9-13)17-14(11)12-4-7-15-8-5-12/h2-10H,1H3
InChIKeyLJFBAHKCNWOQND-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.64
Rot. Bonds2

About 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine

3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine (PubChem CID 158876961) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine
PubChem CID158876961
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine
SMILESCc1cn(-c2cccnc2)nc1-c1ccncc1
InChIInChI=1S/C14H12N4/c1-11-10-18(13-3-2-6-16-9-13)17-14(11)12-4-7-15-8-5-12/h2-10H,1H3
InChIKeyLJFBAHKCNWOQND-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine?
The IUPAC name of 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine (CID 158876961) is 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine.
What is the SMILES notation for 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine?
The canonical SMILES for 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine is Cc1cn(-c2cccnc2)nc1-c1ccncc1.
What is the InChIKey of 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine?
The InChIKey is LJFBAHKCNWOQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-11-10-18(13-3-2-6-16-9-13)17-14(11)12-4-7-15-8-5-12/h2-10H,1H3.
What are the key properties of 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine?
3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine has a molecular weight of 236.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 158876961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).