1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine

C14H25N3O — CID 116723587

IUPAC1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCCNC(Cc1ccn(C)n1)C(OCC)C1CC1
InChIInChI=1S/C14H25N3O/c1-4-15-13(10-12-8-9-17(3)16-12)14(18-5-2)11-6-7-11/h8-9,11,13-15H,4-7,10H2,1-3H3
InChIKeyREGFHNVLKHXECE-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds8

About 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine

1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 116723587) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID116723587
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCCNC(Cc1ccn(C)n1)C(OCC)C1CC1
InChIInChI=1S/C14H25N3O/c1-4-15-13(10-12-8-9-17(3)16-12)14(18-5-2)11-6-7-11/h8-9,11,13-15H,4-7,10H2,1-3H3
InChIKeyREGFHNVLKHXECE-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723583
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
2-cyclohexyl-2-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131463
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175167
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105175019
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025491
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 107004877

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine (CID 116723587) is 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine is CCNC(Cc1ccn(C)n1)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is REGFHNVLKHXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-15-13(10-12-8-9-17(3)16-12)14(18-5-2)11-6-7-11/h8-9,11,13-15H,4-7,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 116723587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).