1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine

C17H22ClN3 — CID 65356817

IUPAC1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
SMILESCCNC1CC(C)(C)Cc2c1cnn2-c1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-4-19-14-9-17(2,3)10-16-12(14)11-20-21(16)15-8-6-5-7-13(15)18/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyGSBSEIYUWXVPDY-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.15
Rot. Bonds3

About 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine

1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine (PubChem CID 65356817) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
PubChem CID65356817
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
SMILESCCNC1CC(C)(C)Cc2c1cnn2-c1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-4-19-14-9-17(2,3)10-16-12(14)11-20-21(16)15-8-6-5-7-13(15)18/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyGSBSEIYUWXVPDY-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine (CID 65356817) is 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine is CCNC1CC(C)(C)Cc2c1cnn2-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
The InChIKey is GSBSEIYUWXVPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-19-14-9-17(2,3)10-16-12(14)11-20-21(16)15-8-6-5-7-13(15)18/h5-8,11,14,19H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine?
1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine has a molecular weight of 303.84 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine is sourced from PubChem (CID 65356817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).