ethane;3-methyl-1-propylindazole

C13H20N2 — CID 144653830

IUPACethane;3-methyl-1-propylindazole
SMILESCC.CCCn1nc(C)c2ccccc21
InChIInChI=1S/C11H14N2.C2H6/c1-3-8-13-11-7-5-4-6-10(11)9(2)12-13;1-2/h4-7H,3,8H2,1-2H3;1-2H3
InChIKeyBKFLZAOITSMYTL-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.78
Rot. Bonds2

About ethane;3-methyl-1-propylindazole

ethane;3-methyl-1-propylindazole (PubChem CID 144653830) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;3-methyl-1-propylindazole.

Molecular Properties

Compound Nameethane;3-methyl-1-propylindazole
PubChem CID144653830
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;3-methyl-1-propylindazole
SMILESCC.CCCn1nc(C)c2ccccc21
InChIInChI=1S/C11H14N2.C2H6/c1-3-8-13-11-7-5-4-6-10(11)9(2)12-13;1-2/h4-7H,3,8H2,1-2H3;1-2H3
InChIKeyBKFLZAOITSMYTL-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dipropylindazole
CID 174534089
3-methyl-1-(2-piperidin-4-ylethyl)indazole
CID 82513483
ethane;2-[(3-methylindazol-1-yl)methyl]isoindole-1,3-dione
CID 91117302
1-[(2,6-dichlorophenyl)methyl]-3-methylindazole
CID 58796715
1-[(6-ethoxy-2-pyridinyl)methyl]-3-methylindazole
CID 141439054
1-butylindazol-3-amine
CID 62686774
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
1-nonylindazol-3-amine
CID 63489930
1-ethylindazole-3-carbonyl chloride;1-ethylindazole-3-carboxamide;1-ethyl-3-methylindazole
CID 160794460
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
3-methyl-1-(piperidin-2-ylmethyl)indazole
CID 84793021
N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
CID 12819473

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-propylindazole?
The IUPAC name of ethane;3-methyl-1-propylindazole (CID 144653830) is ethane;3-methyl-1-propylindazole.
What is the SMILES notation for ethane;3-methyl-1-propylindazole?
The canonical SMILES for ethane;3-methyl-1-propylindazole is CC.CCCn1nc(C)c2ccccc21.
What is the InChIKey of ethane;3-methyl-1-propylindazole?
The InChIKey is BKFLZAOITSMYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-3-8-13-11-7-5-4-6-10(11)9(2)12-13;1-2/h4-7H,3,8H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-propylindazole?
ethane;3-methyl-1-propylindazole has a molecular weight of 204.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-propylindazole is sourced from PubChem (CID 144653830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).