1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole

C34H48N4 — CID 177327977

IUPAC1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole
SMILESCC(C)C1CCC(c2ccc3c(cnn3C)c2)CC1.CC(C)C1CCC(c2nn(C)c3ccccc23)CC1
InChIInChI=1S/2C17H24N2/c1-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18-19(17)3;1-12(2)13-8-10-14(11-9-13)17-15-6-4-5-7-16(15)19(3)18-17/h8-14H,4-7H2,1-3H3;4-7,12-14H,8-11H2,1-3H3
InChIKeyFQNCBNDSOSQDPE-UHFFFAOYSA-N
MW512.79 g/mol
LogP9.01
Rot. Bonds4

About 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole

1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole (PubChem CID 177327977) has the molecular formula C34H48N4 and a molecular weight of 512.79 g/mol. Its IUPAC name is 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole.

Molecular Properties

Compound Name1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole
PubChem CID177327977
Molecular FormulaC34H48N4
Molecular Weight512.79 g/mol
Exact Mass512.39
IUPAC Name1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole
SMILESCC(C)C1CCC(c2ccc3c(cnn3C)c2)CC1.CC(C)C1CCC(c2nn(C)c3ccccc23)CC1
InChIInChI=1S/2C17H24N2/c1-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18-19(17)3;1-12(2)13-8-10-14(11-9-13)17-15-6-4-5-7-16(15)19(3)18-17/h8-14H,4-7H2,1-3H3;4-7,12-14H,8-11H2,1-3H3
InChIKeyFQNCBNDSOSQDPE-UHFFFAOYSA-N
XLogP9.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.79
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)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 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole?
The IUPAC name of 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole (CID 177327977) is 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole.
What is the SMILES notation for 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole?
The canonical SMILES for 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole is CC(C)C1CCC(c2ccc3c(cnn3C)c2)CC1.CC(C)C1CCC(c2nn(C)c3ccccc23)CC1.
What is the InChIKey of 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole?
The InChIKey is FQNCBNDSOSQDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H24N2/c1-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18-19(17)3;1-12(2)13-8-10-14(11-9-13)17-15-6-4-5-7-16(15)19(3)18-17/h8-14H,4-7H2,1-3H3;4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole?
1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole has a molecular weight of 512.79 g/mol, XLogP of 9.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-propan-2-ylcyclohexyl)indazole;1-methyl-5-(4-propan-2-ylcyclohexyl)indazole is sourced from PubChem (CID 177327977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).