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

C13H23N3O — CID 114097894

IUPAC2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCc1cc(CNCCOCC2CC2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-12-8-13(16(2)15-12)9-14-6-7-17-10-11-4-5-11/h8,11,14H,3-7,9-10H2,1-2H3
InChIKeyWYLPUHHEJFWDSA-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.50
Rot. Bonds8

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

2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 114097894) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID114097894
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCc1cc(CNCCOCC2CC2)n(C)n1
InChIInChI=1S/C13H23N3O/c1-3-12-8-13(16(2)15-12)9-14-6-7-17-10-11-4-5-11/h8,11,14H,3-7,9-10H2,1-2H3
InChIKeyWYLPUHHEJFWDSA-UHFFFAOYSA-N
XLogP1.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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'}

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Related Compounds

N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808666
2-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)morpholine
CID 54592635
N-ethyl-N-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)methyl]-2-methoxyethanamine
CID 50982267
(1S)-1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 164639699
Ethane;1-(2-methoxyethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 144946031
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 19520444
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 19526295
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 19530340
N-[(1,3-diethylpyrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65843404
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65843405
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65843599
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 65843600

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (CID 114097894) is 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is CCc1cc(CNCCOCC2CC2)n(C)n1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is WYLPUHHEJFWDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-12-8-13(16(2)15-12)9-14-6-7-17-10-11-4-5-11/h8,11,14H,3-7,9-10H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114097894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).