3,4-dimethyl-5-propan-2-yl-2H-indazole

C12H16N2 — CID 142484038

IUPAC3,4-dimethyl-5-propan-2-yl-2H-indazole
SMILESCc1[nH]nc2ccc(C(C)C)c(C)c12
InChIInChI=1S/C12H16N2/c1-7(2)10-5-6-11-12(8(10)3)9(4)13-14-11/h5-7H,1-4H3,(H,13,14)
InChIKeyHSZNUNIHHKFSGP-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.30
Rot. Bonds1

About 3,4-dimethyl-5-propan-2-yl-2H-indazole

3,4-dimethyl-5-propan-2-yl-2H-indazole (PubChem CID 142484038) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-2H-indazole.

Molecular Properties

Compound Name3,4-dimethyl-5-propan-2-yl-2H-indazole
PubChem CID142484038
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3,4-dimethyl-5-propan-2-yl-2H-indazole
SMILESCc1[nH]nc2ccc(C(C)C)c(C)c12
InChIInChI=1S/C12H16N2/c1-7(2)10-5-6-11-12(8(10)3)9(4)13-14-11/h5-7H,1-4H3,(H,13,14)
InChIKeyHSZNUNIHHKFSGP-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dimethyl-5-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

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-2H-indazole?
The IUPAC name of 3,4-dimethyl-5-propan-2-yl-2H-indazole (CID 142484038) is 3,4-dimethyl-5-propan-2-yl-2H-indazole.
What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-2H-indazole?
The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-2H-indazole is Cc1[nH]nc2ccc(C(C)C)c(C)c12.
What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-2H-indazole?
The InChIKey is HSZNUNIHHKFSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-7(2)10-5-6-11-12(8(10)3)9(4)13-14-11/h5-7H,1-4H3,(H,13,14).
What are the key properties of 3,4-dimethyl-5-propan-2-yl-2H-indazole?
3,4-dimethyl-5-propan-2-yl-2H-indazole has a molecular weight of 188.27 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-propan-2-yl-2H-indazole is sourced from PubChem (CID 142484038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).