1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine

C14H15Cl2N3 — CID 82592656

IUPAC1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nn(-c2cc(Cl)cc(Cl)c2)c2c1C(N)CCC2
InChIInChI=1S/C14H15Cl2N3/c1-8-14-12(17)3-2-4-13(14)19(18-8)11-6-9(15)5-10(16)7-11/h5-7,12H,2-4,17H2,1H3
InChIKeyVYNRXAXTWZZOAD-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.82
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine

1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592656) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592656
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nn(-c2cc(Cl)cc(Cl)c2)c2c1C(N)CCC2
InChIInChI=1S/C14H15Cl2N3/c1-8-14-12(17)3-2-4-13(14)19(18-8)11-6-9(15)5-10(16)7-11/h5-7,12H,2-4,17H2,1H3
InChIKeyVYNRXAXTWZZOAD-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 82592656) is 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cc1nn(-c2cc(Cl)cc(Cl)c2)c2c1C(N)CCC2.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is VYNRXAXTWZZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-8-14-12(17)3-2-4-13(14)19(18-8)11-6-9(15)5-10(16)7-11/h5-7,12H,2-4,17H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine?
1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 296.20 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).