2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine

C14H17N3 — CID 16788368

IUPAC2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCCCc2ccccc21
InChIInChI=1S/C14H17N3/c15-14-9-10-16-17(14)13-8-4-2-6-11-5-1-3-7-12(11)13/h1,3,5,7,9-10,13H,2,4,6,8,15H2
InChIKeyKBHWMSNRRGIOCF-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.78
Rot. Bonds1

About 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine

2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine (PubChem CID 16788368) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine
PubChem CID16788368
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine
SMILESNc1ccnn1C1CCCCc2ccccc21
InChIInChI=1S/C14H17N3/c15-14-9-10-16-17(14)13-8-4-2-6-11-5-1-3-7-12(11)13/h1,3,5,7,9-10,13H,2,4,6,8,15H2
InChIKeyKBHWMSNRRGIOCF-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)pyrazol-3-amine
CID 16793666
3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide
CID 120612737
5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide
CID 167921599
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
5-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperidin-3-amine
CID 79987341
N-[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 95240052
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one
CID 11849900
2-pyrrolidin-2-yl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]acetamide
CID 119865826
2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
CID 94161380
2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine
CID 65461092

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine?
The IUPAC name of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine (CID 16788368) is 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine?
The canonical SMILES for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine is Nc1ccnn1C1CCCCc2ccccc21.
What is the InChIKey of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine?
The InChIKey is KBHWMSNRRGIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-14-9-10-16-17(14)13-8-4-2-6-11-5-1-3-7-12(11)13/h1,3,5,7,9-10,13H,2,4,6,8,15H2.
What are the key properties of 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine?
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine has a molecular weight of 227.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine is sourced from PubChem (CID 16788368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).