N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine

C13H21N3O — CID 84597272

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCOCCn1ccc(NC2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3O/c1-17-7-6-16-5-4-13(15-16)14-12-9-10-2-3-11(12)8-10/h4-5,10-12H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyYNCIHMZQODVMCV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine

N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine (PubChem CID 84597272) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine
PubChem CID84597272
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCOCCn1ccc(NC2CC3CCC2C3)n1
InChIInChI=1S/C13H21N3O/c1-17-7-6-16-5-4-13(15-16)14-12-9-10-2-3-11(12)8-10/h4-5,10-12H,2-3,6-9H2,1H3,(H,14,15)
InChIKeyYNCIHMZQODVMCV-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine (CID 84597272) is N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine is COCCn1ccc(NC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine?
The InChIKey is YNCIHMZQODVMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-7-6-16-5-4-13(15-16)14-12-9-10-2-3-11(12)8-10/h4-5,10-12H,2-3,6-9H2,1H3,(H,14,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine?
N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxyethyl)pyrazol-3-amine is sourced from PubChem (CID 84597272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).