1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine

C12H23N3O — CID 103029693

IUPAC1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCCOCCC(CCc1cnn(C)c1)NC
InChIInChI=1S/C12H23N3O/c1-4-16-8-7-12(13-2)6-5-11-9-14-15(3)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyLDWPPMYOUATNQK-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds8

About 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine

1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine (PubChem CID 103029693) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine.

Molecular Properties

Compound Name1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine
PubChem CID103029693
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCCOCCC(CCc1cnn(C)c1)NC
InChIInChI=1S/C12H23N3O/c1-4-16-8-7-12(13-2)6-5-11-9-14-15(3)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyLDWPPMYOUATNQK-UHFFFAOYSA-N
XLogP1.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
1-(1-Methyl-1h-pyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane dihydrochloride
CID 154878984
2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 75446646
{1-[amino(1-methyl-1H-pyrazol-4-yl)methyl]cyclobutyl}methanol
CID 119053274
Rac-[(2r,3s)-2-(1-methyl-1h-pyrazol-4-yl)oxan-3-yl]methanamine
CID 124507216
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991
4-Methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024992

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The IUPAC name of 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine (CID 103029693) is 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine.
What is the SMILES notation for 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The canonical SMILES for 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine is CCOCCC(CCc1cnn(C)c1)NC.
What is the InChIKey of 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The InChIKey is LDWPPMYOUATNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-16-8-7-12(13-2)6-5-11-9-14-15(3)10-11/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine?
1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyl-5-(1-methylpyrazol-4-yl)pentan-3-amine is sourced from PubChem (CID 103029693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).