N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine

C13H23N3O — CID 112742602

IUPACN-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(C)cnn1C)C1COC(C)C1
InChIInChI=1S/C13H23N3O/c1-5-14-12(11-6-10(3)17-8-11)13-9(2)7-15-16(13)4/h7,10-12,14H,5-6,8H2,1-4H3
InChIKeyVLJACCRHOYDVEV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.80
Rot. Bonds4

About N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine

N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 112742602) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
PubChem CID112742602
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1c(C)cnn1C)C1COC(C)C1
InChIInChI=1S/C13H23N3O/c1-5-14-12(11-6-10(3)17-8-11)13-9(2)7-15-16(13)4/h7,10-12,14H,5-6,8H2,1-4H3
InChIKeyVLJACCRHOYDVEV-UHFFFAOYSA-N
XLogP1.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-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-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105043138
N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115809309
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105041559
N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825204
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996471
N-[(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825345
N-[(4-bromo-1-methylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 114660219
N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021388
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105000580
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105024778

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine (CID 112742602) is N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1c(C)cnn1C)C1COC(C)C1.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is VLJACCRHOYDVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-14-12(11-6-10(3)17-8-11)13-9(2)7-15-16(13)4/h7,10-12,14H,5-6,8H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine?
N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 112742602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).