N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine

C13H23N3O — CID 114130531

IUPACN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
SMILESCCc1cc(CNCCC2CCOC2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-12-8-13(16(2)15-12)9-14-6-4-11-5-7-17-10-11/h8,11,14H,3-7,9-10H2,1-2H3
InChIKeyPGHHNZHSMAUUCS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.50
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine

N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine (PubChem CID 114130531) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
PubChem CID114130531
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
SMILESCCc1cc(CNCCC2CCOC2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-12-8-13(16(2)15-12)9-14-6-4-11-5-7-17-10-11/h8,11,14H,3-7,9-10H2,1-2H3
InChIKeyPGHHNZHSMAUUCS-UHFFFAOYSA-N
XLogP1.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)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

2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114097894
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 107302781
2-(oxolan-3-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 114130530
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]morpholin-4-amine
CID 83021388
2-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazol-3-amine
CID 130617330
1-(1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987467
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]ethyl carbamate
CID 83211873
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601177
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]methanamine
CID 79082651
2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
CID 106286036
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797
2-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 106402039

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine (CID 114130531) is N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine is CCc1cc(CNCCC2CCOC2)n(C)n1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine?
The InChIKey is PGHHNZHSMAUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-12-8-13(16(2)15-12)9-14-6-4-11-5-7-17-10-11/h8,11,14H,3-7,9-10H2,1-2H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine?
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 114130531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).