N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine

C15H23N3 — CID 114094606

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)cc1NCC1CC2C=CC1C2
InChIInChI=1S/C15H23N3/c1-10(2)15-14(9-18(3)17-15)16-8-13-7-11-4-5-12(13)6-11/h4-5,9-13,16H,6-8H2,1-3H3
InChIKeyAEICCOJHZFDMCH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.17
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 114094606) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
PubChem CID114094606
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)cc1NCC1CC2C=CC1C2
InChIInChI=1S/C15H23N3/c1-10(2)15-14(9-18(3)17-15)16-8-13-7-11-4-5-12(13)6-11/h4-5,9-13,16H,6-8H2,1-3H3
InChIKeyAEICCOJHZFDMCH-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.17
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-methyl-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine (CID 114094606) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(C)cc1NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The InChIKey is AEICCOJHZFDMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10(2)15-14(9-18(3)17-15)16-8-13-7-11-4-5-12(13)6-11/h4-5,9-13,16H,6-8H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.17, 4 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-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 114094606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).