3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol

C18H20ClN3O — CID 70560826

IUPAC3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol
SMILESCCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(N)cccc21
InChIInChI=1S/C18H20ClN3O/c1-3-18(12(2)23,13-7-9-14(19)10-8-13)22-17-6-4-5-16(20)15(17)11-21-22/h4-12,23H,3,20H2,1-2H3
InChIKeyYOMCAOHBVKCNSA-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.81
Rot. Bonds4

About 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol

3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol (PubChem CID 70560826) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol.

Molecular Properties

Compound Name3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol
PubChem CID70560826
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol
SMILESCCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(N)cccc21
InChIInChI=1S/C18H20ClN3O/c1-3-18(12(2)23,13-7-9-14(19)10-8-13)22-17-6-4-5-16(20)15(17)11-21-22/h4-12,23H,3,20H2,1-2H3
InChIKeyYOMCAOHBVKCNSA-UHFFFAOYSA-N
XLogP3.81
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol?
The IUPAC name of 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol (CID 70560826) is 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol.
What is the SMILES notation for 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol?
The canonical SMILES for 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol is CCC(c1ccc(Cl)cc1)(C(C)O)n1ncc2c(N)cccc21.
What is the InChIKey of 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol?
The InChIKey is YOMCAOHBVKCNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-3-18(12(2)23,13-7-9-14(19)10-8-13)22-17-6-4-5-16(20)15(17)11-21-22/h4-12,23H,3,20H2,1-2H3.
What are the key properties of 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol?
3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol has a molecular weight of 329.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol is sourced from PubChem (CID 70560826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).