1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine

C13H24ClN3O — CID 114661268

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(c1c(Cl)cnn1C)C(OCC)C(C)C
InChIInChI=1S/C13H24ClN3O/c1-6-15-11(13(9(3)4)18-7-2)12-10(14)8-16-17(12)5/h8-9,11,13,15H,6-7H2,1-5H3
InChIKeyDKFQIRJVKAZNSQ-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.79
Rot. Bonds7

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine

1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine (PubChem CID 114661268) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
PubChem CID114661268
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(c1c(Cl)cnn1C)C(OCC)C(C)C
InChIInChI=1S/C13H24ClN3O/c1-6-15-11(13(9(3)4)18-7-2)12-10(14)8-16-17(12)5/h8-9,11,13,15H,6-7H2,1-5H3
InChIKeyDKFQIRJVKAZNSQ-UHFFFAOYSA-N
XLogP2.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-3-methylbutan-1-amine
CID 114661238
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114661226
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
CID 114662988
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxybutyl]hydrazine
CID 105271122
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-N-ethylpropan-1-amine
CID 114652893
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
CID 114655981
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 116721352
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114648823
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine (CID 114661268) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine is CCNC(c1c(Cl)cnn1C)C(OCC)C(C)C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
The InChIKey is DKFQIRJVKAZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-6-15-11(13(9(3)4)18-7-2)12-10(14)8-16-17(12)5/h8-9,11,13,15H,6-7H2,1-5H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 114661268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).