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

C15H23N3 — CID 62038770

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCc1[nH]ncc1CCCNCC1CC2C=CC1C2
InChIInChI=1S/C15H23N3/c1-11-14(10-17-18-11)3-2-6-16-9-15-8-12-4-5-13(15)7-12/h4-5,10,12-13,15-16H,2-3,6-9H2,1H3,(H,17,18)
InChIKeyMAXULNUEPXRRGW-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.45
Rot. Bonds6

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (PubChem CID 62038770) 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)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
PubChem CID62038770
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCc1[nH]ncc1CCCNCC1CC2C=CC1C2
InChIInChI=1S/C15H23N3/c1-11-14(10-17-18-11)3-2-6-16-9-15-8-12-4-5-13(15)7-12/h4-5,10,12-13,15-16H,2-3,6-9H2,1H3,(H,17,18)
InChIKeyMAXULNUEPXRRGW-UHFFFAOYSA-N
XLogP2.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (CID 62038770) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is Cc1[nH]ncc1CCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is MAXULNUEPXRRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-14(10-17-18-11)3-2-6-16-9-15-8-12-4-5-13(15)7-12/h4-5,10,12-13,15-16H,2-3,6-9H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 62038770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).