4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine

C12H23N3O — CID 103010336

IUPAC4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCCOC(C)C(CCc1ccnn1C)NC
InChIInChI=1S/C12H23N3O/c1-5-16-10(2)12(13-3)7-6-11-8-9-14-15(11)4/h8-10,12-13H,5-7H2,1-4H3
InChIKeyYSYVETLHEYUJBP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds7

About 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine

4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine (PubChem CID 103010336) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine
PubChem CID103010336
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCCOC(C)C(CCc1ccnn1C)NC
InChIInChI=1S/C12H23N3O/c1-5-16-10(2)12(13-3)7-6-11-8-9-14-15(11)4/h8-10,12-13H,5-7H2,1-4H3
InChIKeyYSYVETLHEYUJBP-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclohexyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103027149
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103012292
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine?
The IUPAC name of 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine (CID 103010336) is 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine?
The canonical SMILES for 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine is CCOC(C)C(CCc1ccnn1C)NC.
What is the InChIKey of 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine?
The InChIKey is YSYVETLHEYUJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-16-10(2)12(13-3)7-6-11-8-9-14-15(11)4/h8-10,12-13H,5-7H2,1-4H3.
What are the key properties of 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine?
4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine is sourced from PubChem (CID 103010336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).