N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine

C12H17N3 — CID 60810308

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NCC2CC3C=CC2C3)n1
InChIInChI=1S/C12H17N3/c1-15-5-4-12(14-15)13-8-11-7-9-2-3-10(11)6-9/h2-5,9-11H,6-8H2,1H3,(H,13,14)
InChIKeyQEUAIPRCZLYWBB-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.04
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine (PubChem CID 60810308) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine
PubChem CID60810308
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NCC2CC3C=CC2C3)n1
InChIInChI=1S/C12H17N3/c1-15-5-4-12(14-15)13-8-11-7-9-2-3-10(11)6-9/h2-5,9-11H,6-8H2,1H3,(H,13,14)
InChIKeyQEUAIPRCZLYWBB-UHFFFAOYSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine (CID 60810308) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine is Cn1ccc(NCC2CC3C=CC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine?
The InChIKey is QEUAIPRCZLYWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-15-5-4-12(14-15)13-8-11-7-9-2-3-10(11)6-9/h2-5,9-11H,6-8H2,1H3,(H,13,14).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine has a molecular weight of 203.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 60810308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).