1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine

C16H29N3O — CID 116723522

IUPAC1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
SMILESCCOC(C1CC1)C(Cc1cc(CC)nn1CC)NC
InChIInChI=1S/C16H29N3O/c1-5-13-10-14(19(6-2)18-13)11-15(17-4)16(20-7-3)12-8-9-12/h10,12,15-17H,5-9,11H2,1-4H3
InChIKeySRCUUEIKLQBTEY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.41
Rot. Bonds9

About 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine

1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine (PubChem CID 116723522) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
PubChem CID116723522
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine
SMILESCCOC(C1CC1)C(Cc1cc(CC)nn1CC)NC
InChIInChI=1S/C16H29N3O/c1-5-13-10-14(19(6-2)18-13)11-15(17-4)16(20-7-3)12-8-9-12/h10,12,15-17H,5-9,11H2,1-4H3
InChIKeySRCUUEIKLQBTEY-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116723427
[1-(1,3-diethylpyrazol-5-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222951
1-cyclohexyl-1-ethoxy-3-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpropan-2-amine
CID 116772250
1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105001704
1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 116723474
1-cyclopropyl-1-ethoxy-N-methylbutan-2-amine
CID 116723276
1-cyclopropyl-1-ethoxy-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 116723376
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
[2-(1,3-diethylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231524
3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
CID 116721025
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105161582
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723583

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine (CID 116723522) is 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine is CCOC(C1CC1)C(Cc1cc(CC)nn1CC)NC.
What is the InChIKey of 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine?
The InChIKey is SRCUUEIKLQBTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-13-10-14(19(6-2)18-13)11-15(17-4)16(20-7-3)12-8-9-12/h10,12,15-17H,5-9,11H2,1-4H3.
What are the key properties of 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine?
1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1-ethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 116723522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).