N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine

C10H18ClN3O — CID 114652221

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCCn1ncc(Cl)c1CNCCOC
InChIInChI=1S/C10H18ClN3O/c1-3-5-14-10(9(11)7-13-14)8-12-4-6-15-2/h7,12H,3-6,8H2,1-2H3
InChIKeyFIAAYFSSRIJEQE-UHFFFAOYSA-N
MW231.73 g/mol
LogP1.68
Rot. Bonds7

About N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine

N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine (PubChem CID 114652221) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
PubChem CID114652221
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine
SMILESCCCn1ncc(Cl)c1CNCCOC
InChIInChI=1S/C10H18ClN3O/c1-3-5-14-10(9(11)7-13-14)8-12-4-6-15-2/h7,12H,3-6,8H2,1-2H3
InChIKeyFIAAYFSSRIJEQE-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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

N-[[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]-2-methoxyethanamine
CID 114652225
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 114662832
2-(4-bromo-1-propylpyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 114662830
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 114653419
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-methylpropan-1-amine
CID 114664479
N-[[5-ethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440607
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
CID 114556095
2-(2-methoxyethylamino)-N-(2-propylpyrazol-3-yl)acetamide;hydrochloride
CID 119719149
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine (CID 114652221) is N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine is CCCn1ncc(Cl)c1CNCCOC.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is FIAAYFSSRIJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-3-5-14-10(9(11)7-13-14)8-12-4-6-15-2/h7,12H,3-6,8H2,1-2H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine?
N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 231.73 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propylpyrazol-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 114652221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).