3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol

C14H20N2O — CID 103128712

IUPAC3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H20N2O/c1-4-10(2)9-13(17)14-11-7-5-6-8-12(11)16(3)15-14/h5-8,10,13,17H,4,9H2,1-3H3
InChIKeyOHKVPCLYQXYZFP-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.04
Rot. Bonds4

About 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol

3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol (PubChem CID 103128712) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
PubChem CID103128712
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol
SMILESCCC(C)CC(O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H20N2O/c1-4-10(2)9-13(17)14-11-7-5-6-8-12(11)16(3)15-14/h5-8,10,13,17H,4,9H2,1-3H3
InChIKeyOHKVPCLYQXYZFP-UHFFFAOYSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
1-(1-methylindazol-3-yl)-2-propan-2-yloxyethanol
CID 103129050
1-(1-methylindazol-3-yl)propylhydrazine
CID 103129371
3-methyl-1-(1-methylindazol-3-yl)hexan-1-amine
CID 103126789
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
1-(1-methylindazol-3-yl)prop-2-yn-1-ol
CID 130172582
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
3-(difluoromethyl)-1-methylindazole
CID 153487584
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylindazol-3-yl)ethanol
CID 103129093
4-methyl-1-(1-methylindazol-3-yl)hexan-2-one
CID 115778384

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol?
The IUPAC name of 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol (CID 103128712) is 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol.
What is the SMILES notation for 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol?
The canonical SMILES for 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol is CCC(C)CC(O)c1nn(C)c2ccccc12.
What is the InChIKey of 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol?
The InChIKey is OHKVPCLYQXYZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-10(2)9-13(17)14-11-7-5-6-8-12(11)16(3)15-14/h5-8,10,13,17H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol?
3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylindazol-3-yl)pentan-1-ol is sourced from PubChem (CID 103128712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).