1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine

C14H21N3 — CID 54921328

IUPAC1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine
SMILESCn1ccc(NC2CC3CC2C2CCCC32)n1
InChIInChI=1S/C14H21N3/c1-17-6-5-14(16-17)15-13-8-9-7-12(13)11-4-2-3-10(9)11/h5-6,9-13H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyARRVVOOKJHEBCM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.66
Rot. Bonds2

About 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine

1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine (PubChem CID 54921328) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine
PubChem CID54921328
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine
SMILESCn1ccc(NC2CC3CC2C2CCCC32)n1
InChIInChI=1S/C14H21N3/c1-17-6-5-14(16-17)15-13-8-9-7-12(13)11-4-2-3-10(9)11/h5-6,9-13H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyARRVVOOKJHEBCM-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine (CID 54921328) is 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine is Cn1ccc(NC2CC3CC2C2CCCC32)n1.
What is the InChIKey of 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine?
The InChIKey is ARRVVOOKJHEBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-17-6-5-14(16-17)15-13-8-9-7-12(13)11-4-2-3-10(9)11/h5-6,9-13H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine?
1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine is sourced from PubChem (CID 54921328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).