4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole

C21H25ClN4 — CID 161234327

IUPAC4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole
SMILESCC(C)c1ccc2[nH]ncc2c1Cl.Cc1c(C(C)C)ccc2[nH]ncc12
InChIInChI=1S/C11H14N2.C10H11ClN2/c1-7(2)9-4-5-11-10(8(9)3)6-12-13-11;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9/h4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13)
InChIKeyUZEBOJQYAQWAKZ-UHFFFAOYSA-N
MW368.91 g/mol
LogP6.33
Rot. Bonds2

About 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole

4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole (PubChem CID 161234327) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole
PubChem CID161234327
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole
SMILESCC(C)c1ccc2[nH]ncc2c1Cl.Cc1c(C(C)C)ccc2[nH]ncc12
InChIInChI=1S/C11H14N2.C10H11ClN2/c1-7(2)9-4-5-11-10(8(9)3)6-12-13-11;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9/h4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13)
InChIKeyUZEBOJQYAQWAKZ-UHFFFAOYSA-N
XLogP6.33
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-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

N-(3-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)methanimine
CID 77844770
5-(2-ethylphenyl)-1H-indazole
CID 90645444
5-(2-propan-2-ylphenyl)-1H-indazole
CID 90645445
6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645459
4-phenyl-6-propan-2-yl-1H-indazole
CID 127047212
6-chloro-4-phenyl-1H-indazole
CID 127047863
5-(2-chlorophenyl)-1H-indazole
CID 90645441
5-(2-methylphenyl)-1H-indazole
CID 90645443
5-(2-tert-butylphenyl)-1H-indazole
CID 90645446
3-methyl-5-(1H-pyrazol-4-yl)-2H-indazole
CID 122196353
5-[5-[(4-chlorophenyl)methyl]-1-methylpyrazol-4-yl]-3-methyl-2H-indazole
CID 169837319
3-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1H-indazole
CID 22479994

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole?
The IUPAC name of 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole (CID 161234327) is 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole.
What is the SMILES notation for 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole?
The canonical SMILES for 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole is CC(C)c1ccc2[nH]ncc2c1Cl.Cc1c(C(C)C)ccc2[nH]ncc12.
What is the InChIKey of 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole?
The InChIKey is UZEBOJQYAQWAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C10H11ClN2/c1-7(2)9-4-5-11-10(8(9)3)6-12-13-11;1-6(2)7-3-4-9-8(10(7)11)5-12-13-9/h4-7H,1-3H3,(H,12,13);3-6H,1-2H3,(H,12,13).
What are the key properties of 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole?
4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole has a molecular weight of 368.91 g/mol, XLogP of 6.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-1H-indazole;4-methyl-5-propan-2-yl-1H-indazole is sourced from PubChem (CID 161234327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).