1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine

C18H31N3 — CID 82700205

IUPAC1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CC2CC3CCC2C3)c(CC)c1C(C)NC
InChIInChI=1S/C18H31N3/c1-5-16-18(12(3)19-4)17(6-2)21(20-16)11-15-10-13-7-8-14(15)9-13/h12-15,19H,5-11H2,1-4H3
InChIKeyPTFRNPJUTQZEQB-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.72
Rot. Bonds6

About 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 82700205) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
PubChem CID82700205
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(CC2CC3CCC2C3)c(CC)c1C(C)NC
InChIInChI=1S/C18H31N3/c1-5-16-18(12(3)19-4)17(6-2)21(20-16)11-15-10-13-7-8-14(15)9-13/h12-15,19H,5-11H2,1-4H3
InChIKeyPTFRNPJUTQZEQB-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloropropyl)-3,5-diethylpyrazole
CID 82698589
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697256
1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
CID 82697632
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134
1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol
CID 82697298
1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103139446
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-5-methylpyrazole
CID 130496682
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79550524
1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697043
N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 79562921
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79550435

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine (CID 82700205) is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine is CCc1nn(CC2CC3CCC2C3)c(CC)c1C(C)NC.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is PTFRNPJUTQZEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-16-18(12(3)19-4)17(6-2)21(20-16)11-15-10-13-7-8-14(15)9-13/h12-15,19H,5-11H2,1-4H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine?
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 289.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 82700205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).