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

C16H27N3 — CID 79550435

IUPAC2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(CC2CC3CCC2C3)c1C
InChIInChI=1S/C16H27N3/c1-11-16(6-7-17-3)12(2)19(18-11)10-15-9-13-4-5-14(15)8-13/h13-15,17H,4-10H2,1-3H3
InChIKeyGALUGKGFUJOMNB-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.70
Rot. Bonds5

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

2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (PubChem CID 79550435) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
PubChem CID79550435
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(CC2CC3CCC2C3)c1C
InChIInChI=1S/C16H27N3/c1-11-16(6-7-17-3)12(2)19(18-11)10-15-9-13-4-5-14(15)8-13/h13-15,17H,4-10H2,1-3H3
InChIKeyGALUGKGFUJOMNB-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79550524
N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 79562921
2-[4-[[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110908359
2-[1-(3-ethylsulfonylpropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65097356
2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65178167
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyltriazol-4-amine
CID 79550838
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-5-methylpyrazole
CID 130496682
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167837
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718513
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11935022
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82700205
1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62440987

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine (CID 79550435) is 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is CNCCc1c(C)nn(CC2CC3CCC2C3)c1C.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
The InChIKey is GALUGKGFUJOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11-16(6-7-17-3)12(2)19(18-11)10-15-9-13-4-5-14(15)8-13/h13-15,17H,4-10H2,1-3H3.
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine?
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79550435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).