2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

C15H27N3O — CID 83159628

IUPAC2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCCn1cc(CC(C)(CNCCOC)C2CC2)cn1
InChIInChI=1S/C15H27N3O/c1-4-18-11-13(10-17-18)9-15(2,14-5-6-14)12-16-7-8-19-3/h10-11,14,16H,4-9,12H2,1-3H3
InChIKeyUNQNWYZNFZPDHJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.10
Rot. Bonds9

About 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine

2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 83159628) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID83159628
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCCn1cc(CC(C)(CNCCOC)C2CC2)cn1
InChIInChI=1S/C15H27N3O/c1-4-18-11-13(10-17-18)9-15(2,14-5-6-14)12-16-7-8-19-3/h10-11,14,16H,4-9,12H2,1-3H3
InChIKeyUNQNWYZNFZPDHJ-UHFFFAOYSA-N
XLogP2.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.10
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

3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62725751
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 83160366
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159632
3-[2-cyclopropyl-3-(2-methoxyethylamino)-2-methylpropyl]phenol
CID 83159271
2-cyclopropyl-3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159546
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62724381
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159994
2-cyclopropyl-2-methyl-N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 83160355
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 83159628) is 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is CCn1cc(CC(C)(CNCCOC)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is UNQNWYZNFZPDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-18-11-13(10-17-18)9-15(2,14-5-6-14)12-16-7-8-19-3/h10-11,14,16H,4-9,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine?
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 83159628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).