4-(2-methylbut-3-en-2-yl)-1H-indazole

C12H14N2 — CID 123509900

IUPAC4-(2-methylbut-3-en-2-yl)-1H-indazole
SMILESC=CC(C)(C)c1cccc2[nH]ncc12
InChIInChI=1S/C12H14N2/c1-4-12(2,3)10-6-5-7-11-9(10)8-13-14-11/h4-8H,1H2,2-3H3,(H,13,14)
InChIKeyIDPCOJQGCOWHJE-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.03
Rot. Bonds2

About 4-(2-methylbut-3-en-2-yl)-1H-indazole

4-(2-methylbut-3-en-2-yl)-1H-indazole (PubChem CID 123509900) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(2-methylbut-3-en-2-yl)-1H-indazole.

Molecular Properties

Compound Name4-(2-methylbut-3-en-2-yl)-1H-indazole
PubChem CID123509900
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-(2-methylbut-3-en-2-yl)-1H-indazole
SMILESC=CC(C)(C)c1cccc2[nH]ncc12
InChIInChI=1S/C12H14N2/c1-4-12(2,3)10-6-5-7-11-9(10)8-13-14-11/h4-8H,1H2,2-3H3,(H,13,14)
InChIKeyIDPCOJQGCOWHJE-UHFFFAOYSA-N
XLogP3.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-methylbut-3-en-2-yl)-1H-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

5-tert-butyl-4-methyl-1H-indazole
CID 134492253
CID 174665708
CID 174665708
1H-indazol-4-amine;dihydrochloride
CID 18779330
1-amino-1-(1H-indazol-4-yl)-2-methyl-1-phenyl-3-(propylamino)propan-2-ol
CID 69030326
1H-indazol-4-ylboronic acid;hydrochloride
CID 46738007
(S)-N-(1H-indazol-4-ylmethylidene)-2-methylpropane-2-sulfinamide
CID 163634014
1-(1H-indazol-4-yl)ethanethiol
CID 135200375
sodium;hydride;1H-indazole-4-thiol
CID 175160320
sodium;4-chloro-1H-indazole;hydride
CID 175559887
1H-indazol-4-yl formate
CID 134537782
potassium trifluoro(1H-indazol-4-yl)boranuide
CID 121229109
(E)-N-(1H-indazol-4-yl)but-2-enamide
CID 110470186

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbut-3-en-2-yl)-1H-indazole?
The IUPAC name of 4-(2-methylbut-3-en-2-yl)-1H-indazole (CID 123509900) is 4-(2-methylbut-3-en-2-yl)-1H-indazole.
What is the SMILES notation for 4-(2-methylbut-3-en-2-yl)-1H-indazole?
The canonical SMILES for 4-(2-methylbut-3-en-2-yl)-1H-indazole is C=CC(C)(C)c1cccc2[nH]ncc12.
What is the InChIKey of 4-(2-methylbut-3-en-2-yl)-1H-indazole?
The InChIKey is IDPCOJQGCOWHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-4-12(2,3)10-6-5-7-11-9(10)8-13-14-11/h4-8H,1H2,2-3H3,(H,13,14).
What are the key properties of 4-(2-methylbut-3-en-2-yl)-1H-indazole?
4-(2-methylbut-3-en-2-yl)-1H-indazole has a molecular weight of 186.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbut-3-en-2-yl)-1H-indazole is sourced from PubChem (CID 123509900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).