4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine

C15H19N3 — CID 79855907

IUPAC4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine
SMILESCC1(C)CCCc2nn(-c3ccccc3)c(N)c21
InChIInChI=1S/C15H19N3/c1-15(2)10-6-9-12-13(15)14(16)18(17-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10,16H2,1-2H3
InChIKeyHNWZIWLQYXCJSX-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.07
Rot. Bonds1

About 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine

4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine (PubChem CID 79855907) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine
PubChem CID79855907
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine
SMILESCC1(C)CCCc2nn(-c3ccccc3)c(N)c21
InChIInChI=1S/C15H19N3/c1-15(2)10-6-9-12-13(15)14(16)18(17-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10,16H2,1-2H3
InChIKeyHNWZIWLQYXCJSX-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine?
The IUPAC name of 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine (CID 79855907) is 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine.
What is the SMILES notation for 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine?
The canonical SMILES for 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine is CC1(C)CCCc2nn(-c3ccccc3)c(N)c21.
What is the InChIKey of 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine?
The InChIKey is HNWZIWLQYXCJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-15(2)10-6-9-12-13(15)14(16)18(17-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10,16H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine?
4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine has a molecular weight of 241.34 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-3-amine is sourced from PubChem (CID 79855907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).