1,3-dimethyl-4-propan-2-ylindazole;ethane

C14H22N2 — CID 144655945

IUPAC1,3-dimethyl-4-propan-2-ylindazole;ethane
SMILESCC.Cc1nn(C)c2cccc(C(C)C)c12
InChIInChI=1S/C12H16N2.C2H6/c1-8(2)10-6-5-7-11-12(10)9(3)13-14(11)4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyODENGWNXMUSNHJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.03
Rot. Bonds1

About 1,3-dimethyl-4-propan-2-ylindazole;ethane

1,3-dimethyl-4-propan-2-ylindazole;ethane (PubChem CID 144655945) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,3-dimethyl-4-propan-2-ylindazole;ethane.

Molecular Properties

Compound Name1,3-dimethyl-4-propan-2-ylindazole;ethane
PubChem CID144655945
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1,3-dimethyl-4-propan-2-ylindazole;ethane
SMILESCC.Cc1nn(C)c2cccc(C(C)C)c12
InChIInChI=1S/C12H16N2.C2H6/c1-8(2)10-6-5-7-11-12(10)9(3)13-14(11)4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyODENGWNXMUSNHJ-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-dimethylindazol-4-yl)butanal
CID 117308183
1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine
CID 105471767
1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane
CID 155748773
(1-methyl-3-propan-2-ylindazol-4-yl)methanamine
CID 105455775
3-[(1,3-dimethylindazol-4-yl)amino]-1-methylpyrazin-2-one
CID 172757021
1-methyl-3-propan-2-ylindazole-4-carbaldehyde
CID 91549943
6-bromo-4-(difluoromethyl)-1,3-dimethylindazole;ethane
CID 176566236
3-(1-fluoroethyl)-1-methylindazol-4-amine
CID 84664701
4-(1,3-dimethylindazol-4-yl)-1H-pyrazol-5-amine
CID 117327028
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
1-methyl-4-propan-2-ylindole-3-thiol
CID 143675631
1-(1,3-dimethylindazol-4-yl)cyclohexane-1-carboxylic acid
CID 117433819

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propan-2-ylindazole;ethane?
The IUPAC name of 1,3-dimethyl-4-propan-2-ylindazole;ethane (CID 144655945) is 1,3-dimethyl-4-propan-2-ylindazole;ethane.
What is the SMILES notation for 1,3-dimethyl-4-propan-2-ylindazole;ethane?
The canonical SMILES for 1,3-dimethyl-4-propan-2-ylindazole;ethane is CC.Cc1nn(C)c2cccc(C(C)C)c12.
What is the InChIKey of 1,3-dimethyl-4-propan-2-ylindazole;ethane?
The InChIKey is ODENGWNXMUSNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C2H6/c1-8(2)10-6-5-7-11-12(10)9(3)13-14(11)4;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of 1,3-dimethyl-4-propan-2-ylindazole;ethane?
1,3-dimethyl-4-propan-2-ylindazole;ethane has a molecular weight of 218.34 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propan-2-ylindazole;ethane is sourced from PubChem (CID 144655945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).