1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine

C15H25N3 — CID 55106783

IUPAC1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
SMILESCCn1cc(CC2(CNC)CC3CCC2C3)cn1
InChIInChI=1S/C15H25N3/c1-3-18-10-13(9-17-18)8-15(11-16-2)7-12-4-5-14(15)6-12/h9-10,12,14,16H,3-8,11H2,1-2H3
InChIKeyRURVXSKWGMEMDC-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine

1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine (PubChem CID 55106783) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
PubChem CID55106783
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
SMILESCCn1cc(CC2(CNC)CC3CCC2C3)cn1
InChIInChI=1S/C15H25N3/c1-3-18-10-13(9-17-18)8-15(11-16-2)7-12-4-5-14(15)6-12/h9-10,12,14,16H,3-8,11H2,1-2H3
InChIKeyRURVXSKWGMEMDC-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine (CID 55106783) is 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine is CCn1cc(CC2(CNC)CC3CCC2C3)cn1.
What is the InChIKey of 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
The InChIKey is RURVXSKWGMEMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18-10-13(9-17-18)8-15(11-16-2)7-12-4-5-14(15)6-12/h9-10,12,14,16H,3-8,11H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine?
1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpyrazol-4-yl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine is sourced from PubChem (CID 55106783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).