2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine

C15H25N3 — CID 115808203

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CC2CC3CCC2C3)cn1
InChIInChI=1S/C15H25N3/c1-2-5-18-10-14(9-17-18)15(16)8-13-7-11-3-4-12(13)6-11/h9-13,15H,2-8,16H2,1H3
InChIKeyQZNCAKQPDZMAIK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.12
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 115808203) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID115808203
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CC2CC3CCC2C3)cn1
InChIInChI=1S/C15H25N3/c1-2-5-18-10-14(9-17-18)15(16)8-13-7-11-3-4-12(13)6-11/h9-13,15H,2-8,16H2,1H3
InChIKeyQZNCAKQPDZMAIK-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 115807952
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 103986856
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163
2-(2-bicyclo[2.2.1]heptanyl)-1-pyridazin-4-ylethanamine
CID 105167884
4-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,N-dimethylaniline
CID 105167951
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 112727149
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755618
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 105041938
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105027565
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
CID 115807334

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine (CID 115808203) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(N)CC2CC3CCC2C3)cn1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is QZNCAKQPDZMAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-5-18-10-14(9-17-18)15(16)8-13-7-11-3-4-12(13)6-11/h9-13,15H,2-8,16H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115808203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).