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

C17H23N3 — CID 43204439

IUPAC1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCCCc2ccccc21
InChIInChI=1S/C17H23N3/c1-12-17(13(2)20(3)19-12)18-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16,18H,5,7,9,11H2,1-3H3
InChIKeyGRBPHWBIQFQQBI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.92
Rot. Bonds2

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

1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine (PubChem CID 43204439) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
PubChem CID43204439
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
SMILESCc1nn(C)c(C)c1NC1CCCCc2ccccc21
InChIInChI=1S/C17H23N3/c1-12-17(13(2)20(3)19-12)18-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16,18H,5,7,9,11H2,1-3H3
InChIKeyGRBPHWBIQFQQBI-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine?
The IUPAC name of 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine (CID 43204439) is 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine.
What is the SMILES notation for 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine?
The canonical SMILES for 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine is Cc1nn(C)c(C)c1NC1CCCCc2ccccc21.
What is the InChIKey of 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine?
The InChIKey is GRBPHWBIQFQQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-17(13(2)20(3)19-12)18-16-11-7-5-9-14-8-4-6-10-15(14)16/h4,6,8,10,16,18H,5,7,9,11H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine?
1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine is sourced from PubChem (CID 43204439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).