3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole

C10H12N2 — CID 126838928

IUPAC3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole
SMILESC#Cc1c2c(nn1C)CCCC2
InChIInChI=1S/C10H12N2/c1-3-10-8-6-4-5-7-9(8)11-12(10)2/h1H,4-7H2,2H3
InChIKeyAUKFKYFEJRLIGK-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.28
Rot. Bonds

About 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole

3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 126838928) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole
PubChem CID126838928
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole
SMILESC#Cc1c2c(nn1C)CCCC2
InChIInChI=1S/C10H12N2/c1-3-10-8-6-4-5-7-9(8)11-12(10)2/h1H,4-7H2,2H3
InChIKeyAUKFKYFEJRLIGK-UHFFFAOYSA-N
XLogP1.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CID 12299300
3-bromo-2-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 57425037
1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 71668509
3-bromo-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 84680769
3-ethynyl-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 145769935
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
1-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165946402
3-ethynyl-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 177798343
1,3,5-Trimethyl-4-propylpyrazole
CID 13792879
4-Butyl-1,3,5-trimethylpyrazole
CID 127012036
(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methanamine
CID 83383904

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole (CID 126838928) is 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole is C#Cc1c2c(nn1C)CCCC2.
What is the InChIKey of 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is AUKFKYFEJRLIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-10-8-6-4-5-7-9(8)11-12(10)2/h1H,4-7H2,2H3.
What are the key properties of 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole?
3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 160.22 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-2-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 126838928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).