1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine

C10H15N3 — CID 130172835

IUPAC1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine
SMILESNc1cnn(C2CC3CCC2C3)c1
InChIInChI=1S/C10H15N3/c11-9-5-12-13(6-9)10-4-7-1-2-8(10)3-7/h5-8,10H,1-4,11H2
InChIKeyVXBDGUWUUUYLJU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.83
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine

1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine (PubChem CID 130172835) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine
PubChem CID130172835
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine
SMILESNc1cnn(C2CC3CCC2C3)c1
InChIInChI=1S/C10H15N3/c11-9-5-12-13(6-9)10-4-7-1-2-8(10)3-7/h5-8,10H,1-4,11H2
InChIKeyVXBDGUWUUUYLJU-UHFFFAOYSA-N
XLogP1.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine (CID 130172835) is 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine is Nc1cnn(C2CC3CCC2C3)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine?
The InChIKey is VXBDGUWUUUYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-9-5-12-13(6-9)10-4-7-1-2-8(10)3-7/h5-8,10H,1-4,11H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine?
1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine has a molecular weight of 177.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)pyrazol-4-amine is sourced from PubChem (CID 130172835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).