N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine

C13H23N3O — CID 115858055

IUPACN-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1CC)C1CCC(C)O1
InChIInChI=1S/C13H23N3O/c1-4-14-13(12-7-6-10(3)17-12)11-8-9-15-16(11)5-2/h8-10,12-14H,4-7H2,1-3H3
InChIKeyYQFYRKIYPGDUDU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine

N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 115858055) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID115858055
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccnn1CC)C1CCC(C)O1
InChIInChI=1S/C13H23N3O/c1-4-14-13(12-7-6-10(3)17-12)11-8-9-15-16(11)5-2/h8-10,12-14H,4-7H2,1-3H3
InChIKeyYQFYRKIYPGDUDU-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine 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-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 103346121
N-[(3-ethylcyclohexyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 65415353
N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188815
N-[(2-ethylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 65404205
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 64984212
N-[(2-ethylpyrazol-3-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 65334450
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423027
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81331178
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine (CID 115858055) is N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1ccnn1CC)C1CCC(C)O1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is YQFYRKIYPGDUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-14-13(12-7-6-10(3)17-12)11-8-9-15-16(11)5-2/h8-10,12-14H,4-7H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 115858055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).