1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine

C10H18ClN3O — CID 106180448

IUPAC1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCOCC(CCl)NCCc1cnn(C)c1
InChIInChI=1S/C10H18ClN3O/c1-14-7-9(6-13-14)3-4-12-10(5-11)8-15-2/h6-7,10,12H,3-5,8H2,1-2H3
InChIKeyOBBJNZGLQKXCDU-UHFFFAOYSA-N
MW231.73 g/mol
LogP0.81
Rot. Bonds7

About 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine

1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine (PubChem CID 106180448) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine
PubChem CID106180448
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCOCC(CCl)NCCc1cnn(C)c1
InChIInChI=1S/C10H18ClN3O/c1-14-7-9(6-13-14)3-4-12-10(5-11)8-15-2/h6-7,10,12H,3-5,8H2,1-2H3
InChIKeyOBBJNZGLQKXCDU-UHFFFAOYSA-N
XLogP0.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-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

4-(3-chloro-4-methoxybutyl)-1-methylpyrazole
CID 62320381
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
CID 103015314
4-(1-methylpyrazol-4-yl)-1-propoxy-N-propylbutan-2-amine
CID 103009702
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103010409
1-(3-methoxypropyl)-2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110975668
methyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]hexanoate
CID 103258279
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine (CID 106180448) is 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine is COCC(CCl)NCCc1cnn(C)c1.
What is the InChIKey of 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine?
The InChIKey is OBBJNZGLQKXCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-14-7-9(6-13-14)3-4-12-10(5-11)8-15-2/h6-7,10,12H,3-5,8H2,1-2H3.
What are the key properties of 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine?
1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine has a molecular weight of 231.73 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 106180448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).