1-(1-methylindazol-3-yl)prop-2-yn-1-ol

C11H10N2O — CID 130172582

IUPAC1-(1-methylindazol-3-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1nn(C)c2ccccc12
InChIInChI=1S/C11H10N2O/c1-3-10(14)11-8-6-4-5-7-9(8)13(2)12-11/h1,4-7,10,14H,2H3
InChIKeyCUVWZHWJHIYHBO-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.24
Rot. Bonds1

About 1-(1-methylindazol-3-yl)prop-2-yn-1-ol

1-(1-methylindazol-3-yl)prop-2-yn-1-ol (PubChem CID 130172582) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)prop-2-yn-1-ol
PubChem CID130172582
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1-(1-methylindazol-3-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1nn(C)c2ccccc12
InChIInChI=1S/C11H10N2O/c1-3-10(14)11-8-6-4-5-7-9(8)13(2)12-11/h1,4-7,10,14H,2H3
InChIKeyCUVWZHWJHIYHBO-UHFFFAOYSA-N
XLogP1.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-1-methylindazole
CID 153487584
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
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CID 82604101
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
CID 103128712
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050
1-methyl-3-(1-nitrosoethyl)indazole
CID 123266859
(1-methylindazol-3-yl)-(2-methylthiophen-3-yl)methanol
CID 103129342
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
(4-bromothiophen-3-yl)-(1-methylindazol-3-yl)methanol
CID 103129037
(2-fluoro-5-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128770

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(1-methylindazol-3-yl)prop-2-yn-1-ol (CID 130172582) is 1-(1-methylindazol-3-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(1-methylindazol-3-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(1-methylindazol-3-yl)prop-2-yn-1-ol is C#CC(O)c1nn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindazol-3-yl)prop-2-yn-1-ol?
The InChIKey is CUVWZHWJHIYHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-3-10(14)11-8-6-4-5-7-9(8)13(2)12-11/h1,4-7,10,14H,2H3.
What are the key properties of 1-(1-methylindazol-3-yl)prop-2-yn-1-ol?
1-(1-methylindazol-3-yl)prop-2-yn-1-ol has a molecular weight of 186.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)prop-2-yn-1-ol is sourced from PubChem (CID 130172582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).