ethane;3-propan-2-yl-2H-indazole

C14H24N2 — CID 167622577

IUPACethane;3-propan-2-yl-2H-indazole
SMILESCC.CC.CC(C)c1[nH]nc2ccccc12
InChIInChI=1S/C10H12N2.2C2H6/c1-7(2)10-8-5-3-4-6-9(8)11-12-10;2*1-2/h3-7H,1-2H3,(H,11,12);2*1-2H3
InChIKeyMQOKVQRPXQITJV-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.74
Rot. Bonds1

About ethane;3-propan-2-yl-2H-indazole

ethane;3-propan-2-yl-2H-indazole (PubChem CID 167622577) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;3-propan-2-yl-2H-indazole.

Molecular Properties

Compound Nameethane;3-propan-2-yl-2H-indazole
PubChem CID167622577
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;3-propan-2-yl-2H-indazole
SMILESCC.CC.CC(C)c1[nH]nc2ccccc12
InChIInChI=1S/C10H12N2.2C2H6/c1-7(2)10-8-5-3-4-6-9(8)11-12-10;2*1-2/h3-7H,1-2H3,(H,11,12);2*1-2H3
InChIKeyMQOKVQRPXQITJV-UHFFFAOYSA-N
XLogP4.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;3-propan-2-yl-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2H-indazol-3-yl)ethanol
CID 119095207
6-chloro-3-propan-2-yl-2H-indazole
CID 118042502
3,5-di(propan-2-yl)-2H-indazole
CID 58499067
bis(3-propan-2-yl-2H-indazole);3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-b]pyridine;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine
CID 158562981
1-(3-propan-2-yl-2H-indazol-6-yl)ethanone
CID 105454475
2H-indazol-3-yl(methyl)tin
CID 141081800
3-propan-2-yl-2H-indazol-4-ol
CID 136743902
3-(1-bromoethyl)-2H-indazole;tert-butyl formate
CID 174605199
2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid
CID 105491045
3-(1-piperidin-3-ylethyl)-2H-indazole
CID 176569941
1-(2H-indazol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170820036
3-propan-2-yl-2H-indazol-4-amine
CID 105436209

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-2H-indazole?
The IUPAC name of ethane;3-propan-2-yl-2H-indazole (CID 167622577) is ethane;3-propan-2-yl-2H-indazole.
What is the SMILES notation for ethane;3-propan-2-yl-2H-indazole?
The canonical SMILES for ethane;3-propan-2-yl-2H-indazole is CC.CC.CC(C)c1[nH]nc2ccccc12.
What is the InChIKey of ethane;3-propan-2-yl-2H-indazole?
The InChIKey is MQOKVQRPXQITJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.2C2H6/c1-7(2)10-8-5-3-4-6-9(8)11-12-10;2*1-2/h3-7H,1-2H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;3-propan-2-yl-2H-indazole?
ethane;3-propan-2-yl-2H-indazole has a molecular weight of 220.36 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yl-2H-indazole is sourced from PubChem (CID 167622577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).