3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine

C16H21N3O — CID 117431561

IUPAC3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine
SMILESCOc1ccc2c(c1-c1cc(N)n(C)n1)CCCCC2
InChIInChI=1S/C16H21N3O/c1-19-15(17)10-13(18-19)16-12-7-5-3-4-6-11(12)8-9-14(16)20-2/h8-10H,3-7,17H2,1-2H3
InChIKeyWKCDDURWPTXPIR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds2

About 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine

3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine (PubChem CID 117431561) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine
PubChem CID117431561
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine
SMILESCOc1ccc2c(c1-c1cc(N)n(C)n1)CCCCC2
InChIInChI=1S/C16H21N3O/c1-19-15(17)10-13(18-19)16-12-7-5-3-4-6-11(12)8-9-14(16)20-2/h8-10H,3-7,17H2,1-2H3
InChIKeyWKCDDURWPTXPIR-UHFFFAOYSA-N
XLogP2.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine with MolForge

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Related Compounds

3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
1-(5-amino-1-methylpyrazol-3-yl)-3-chloro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 136931996
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methylpyridazin-3-amine
CID 167138148
5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 117435468
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
2-(5-amino-1-methylpyrazol-3-yl)-4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 136998201
3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
3-(5-amino-1-methylpyrazol-3-yl)-4-bromo-2-methoxyphenol
CID 117479831

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine (CID 117431561) is 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine is COc1ccc2c(c1-c1cc(N)n(C)n1)CCCCC2.
What is the InChIKey of 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine?
The InChIKey is WKCDDURWPTXPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-15(17)10-13(18-19)16-12-7-5-3-4-6-11(12)8-9-14(16)20-2/h8-10H,3-7,17H2,1-2H3.
What are the key properties of 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine?
3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine has a molecular weight of 271.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117431561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).