4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine

C17H18ClN3 — CID 23404751

IUPAC4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)n1ncc2ccccc21
InChIInChI=1S/C17H18ClN3/c1-12(19)17(10-13-6-8-15(18)9-7-13)21-16-5-3-2-4-14(16)11-20-21/h2-9,11-12,17H,10,19H2,1H3
InChIKeyWUMPVLGWRJHLQK-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.82
Rot. Bonds4

About 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine

4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine (PubChem CID 23404751) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine
PubChem CID23404751
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)n1ncc2ccccc21
InChIInChI=1S/C17H18ClN3/c1-12(19)17(10-13-6-8-15(18)9-7-13)21-16-5-3-2-4-14(16)11-20-21/h2-9,11-12,17H,10,19H2,1H3
InChIKeyWUMPVLGWRJHLQK-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine (CID 23404751) is 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine is CC(N)C(Cc1ccc(Cl)cc1)n1ncc2ccccc21.
What is the InChIKey of 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine?
The InChIKey is WUMPVLGWRJHLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-12(19)17(10-13-6-8-15(18)9-7-13)21-16-5-3-2-4-14(16)11-20-21/h2-9,11-12,17H,10,19H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine?
4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine has a molecular weight of 299.81 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-indazol-1-ylbutan-2-amine is sourced from PubChem (CID 23404751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).