4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole

C14H23N3 — CID 86817732

IUPAC4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCn1ncc2c1CCCC2N1CCC(C)(C)C1
InChIInChI=1S/C14H23N3/c1-14(2)7-8-17(10-14)13-6-4-5-12-11(13)9-15-16(12)3/h9,13H,4-8,10H2,1-3H3
InChIKeyCZKRZKXDZXNMRS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.53
Rot. Bonds1

About 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole

4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole (PubChem CID 86817732) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole
PubChem CID86817732
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole
SMILESCn1ncc2c1CCCC2N1CCC(C)(C)C1
InChIInChI=1S/C14H23N3/c1-14(2)7-8-17(10-14)13-6-4-5-12-11(13)9-15-16(12)3/h9,13H,4-8,10H2,1-3H3
InChIKeyCZKRZKXDZXNMRS-UHFFFAOYSA-N
XLogP2.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole 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 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole (CID 86817732) is 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole is Cn1ncc2c1CCCC2N1CCC(C)(C)C1.
What is the InChIKey of 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole?
The InChIKey is CZKRZKXDZXNMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)7-8-17(10-14)13-6-4-5-12-11(13)9-15-16(12)3/h9,13H,4-8,10H2,1-3H3.
What are the key properties of 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole?
4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole has a molecular weight of 233.36 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidin-1-yl)-1-methyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 86817732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).