2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine

C13H23N3O — CID 62730584

IUPAC2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
SMILESCc1nn(CC2CCCCO2)c(C)c1CCN
InChIInChI=1S/C13H23N3O/c1-10-13(6-7-14)11(2)16(15-10)9-12-5-3-4-8-17-12/h12H,3-9,14H2,1-2H3
InChIKeyNIFNLCCRALXXGR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.57
Rot. Bonds4

About 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine

2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine (PubChem CID 62730584) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
PubChem CID62730584
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
SMILESCc1nn(CC2CCCCO2)c(C)c1CCN
InChIInChI=1S/C13H23N3O/c1-10-13(6-7-14)11(2)16(15-10)9-12-5-3-4-8-17-12/h12H,3-9,14H2,1-2H3
InChIKeyNIFNLCCRALXXGR-UHFFFAOYSA-N
XLogP1.57
TPSA53.07 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-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

[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62550168
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
CID 55139422
2-[3-(oxan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 114718438
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 63106546
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731385
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 71755396
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 65165295
4-(chloromethyl)-3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65161690
4-ethyl-3,5-dimethyl-1-(oxiran-2-ylmethyl)pyrazole
CID 61236679
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 71689007
N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
CID 82699798

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine (CID 62730584) is 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine is Cc1nn(CC2CCCCO2)c(C)c1CCN.
What is the InChIKey of 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine?
The InChIKey is NIFNLCCRALXXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-13(6-7-14)11(2)16(15-10)9-12-5-3-4-8-17-12/h12H,3-9,14H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine?
2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62730584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).