2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine

C14H25N3O — CID 63106546

IUPAC2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCn1nc(C)c(CCNCC2CCCO2)c1C
InChIInChI=1S/C14H25N3O/c1-4-17-12(3)14(11(2)16-17)7-8-15-10-13-6-5-9-18-13/h13,15H,4-10H2,1-3H3
InChIKeyHFLWFLYPQJBRCR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.83
Rot. Bonds6

About 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 63106546) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID63106546
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCCn1nc(C)c(CCNCC2CCCO2)c1C
InChIInChI=1S/C14H25N3O/c1-4-17-12(3)14(11(2)16-17)7-8-15-10-13-6-5-9-18-13/h13,15H,4-10H2,1-3H3
InChIKeyHFLWFLYPQJBRCR-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63104701
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 71689007
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 65165295
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 55088130
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 63106366
N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine
CID 95352400
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62566084
[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62550168
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 63106195
2-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]ethanamine
CID 62730584

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 63106546) is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine is CCn1nc(C)c(CCNCC2CCCO2)c1C.
What is the InChIKey of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is HFLWFLYPQJBRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17-12(3)14(11(2)16-17)7-8-15-10-13-6-5-9-18-13/h13,15H,4-10H2,1-3H3.
What are the key properties of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 63106546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).