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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Related Compounds

N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
CID 66560342
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-butenamide
CID 23723913
N-[6,6-dimethyl-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-butenamide
CID 23723540
N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]acetamide
CID 45248756
4-chloro-N-[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-ylmethyl]aniline
CID 52953132
N-[[1-(2-chlorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72547540
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]aniline
CID 118736306
1-(4-(tert-Butyl)phenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 44819528
1-(3,5-Dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 44819529
6,6-dimethyl-1-phenyl-N-(tetrahydro-2H-thiopyran-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 45189678
2-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 46882511
N-methyl-N-{2-[1-methyl-1-(1-phenyl-1H-pyrazol-5-yl)ethyl]phenyl}amine
CID 2322415

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).