N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

C17H29N3 — CID 115816163

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cnn(CC)c1
InChIInChI=1S/C17H29N3/c1-3-7-18-17(16-11-19-20(4-2)12-16)10-15-9-13-5-6-14(15)8-13/h11-15,17-18H,3-10H2,1-2H3
InChIKeySQOKRFKRKUUIQD-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.77
Rot. Bonds7

About N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 115816163) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID115816163
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cnn(CC)c1
InChIInChI=1S/C17H29N3/c1-3-7-18-17(16-11-19-20(4-2)12-16)10-15-9-13-5-6-14(15)8-13/h11-15,17-18H,3-10H2,1-2H3
InChIKeySQOKRFKRKUUIQD-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 115807952
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 79562074
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43496619
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 115808203
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105012704
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3-chlorophenyl)ethyl]propan-1-amine
CID 105012937
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 55197409
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 79562678
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 105012922
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine
CID 105010796
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (CID 115816163) is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(CC1CC2CCC1C2)c1cnn(CC)c1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is SQOKRFKRKUUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-7-18-17(16-11-19-20(4-2)12-16)10-15-9-13-5-6-14(15)8-13/h11-15,17-18H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115816163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).