3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine

C12H11N3 — CID 121211783

IUPAC3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine
SMILESC#CCn1nc(-c2cccnc2)cc1C
InChIInChI=1S/C12H11N3/c1-3-7-15-10(2)8-12(14-15)11-5-4-6-13-9-11/h1,4-6,8-9H,7H2,2H3
InChIKeyIJZVRVHQXXZOLZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.89
Rot. Bonds2

About 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine

3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine (PubChem CID 121211783) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine
PubChem CID121211783
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine
SMILESC#CCn1nc(-c2cccnc2)cc1C
InChIInChI=1S/C12H11N3/c1-3-7-15-10(2)8-12(14-15)11-5-4-6-13-9-11/h1,4-6,8-9H,7H2,2H3
InChIKeyIJZVRVHQXXZOLZ-UHFFFAOYSA-N
XLogP1.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine
CID 121210871
3-[1-[3-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-5-methylpyrazol-3-yl]pyridine
CID 171111529
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-3-phenylprop-2-enamide
CID 171130626
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 117063091
2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 147180179
N-[2-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121020081
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 10243363
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 121210795
2-methyl-6-pyridin-3-ylpyridine;propane
CID 144615785

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine?
The IUPAC name of 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine (CID 121211783) is 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine is C#CCn1nc(-c2cccnc2)cc1C.
What is the InChIKey of 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine?
The InChIKey is IJZVRVHQXXZOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-3-7-15-10(2)8-12(14-15)11-5-4-6-13-9-11/h1,4-6,8-9H,7H2,2H3.
What are the key properties of 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine?
3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine has a molecular weight of 197.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine is sourced from PubChem (CID 121211783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).