N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine

C11H20ClN3O — CID 115630423

IUPACN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1c(CC)nn(C)c1Cl
InChIInChI=1S/C11H20ClN3O/c1-4-10-9(11(12)15(3)14-10)8-13-6-7-16-5-2/h13H,4-8H2,1-3H3
InChIKeyRYWIHXKVIBIRJN-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.76
Rot. Bonds7

About N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine

N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine (PubChem CID 115630423) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
PubChem CID115630423
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC NameN-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
SMILESCCOCCNCc1c(CC)nn(C)c1Cl
InChIInChI=1S/C11H20ClN3O/c1-4-10-9(11(12)15(3)14-10)8-13-6-7-16-5-2/h13H,4-8H2,1-3H3
InChIKeyRYWIHXKVIBIRJN-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.76
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-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropropan-1-amine
CID 115732900
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
5-chloro-3,4-diethyl-1-methylpyrazole
CID 142045538
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655448
[1-[[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579370
2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 111421648
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 111421651
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924571
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethoxyethanamine
CID 43591015
3-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469232
1-(5-chloro-3-ethyl-1-methylpyrazol-4-yl)propan-2-one
CID 83880828
5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
CID 60796732

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine?
The IUPAC name of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine (CID 115630423) is N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine?
The canonical SMILES for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine is CCOCCNCc1c(CC)nn(C)c1Cl.
What is the InChIKey of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine?
The InChIKey is RYWIHXKVIBIRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O/c1-4-10-9(11(12)15(3)14-10)8-13-6-7-16-5-2/h13H,4-8H2,1-3H3.
What are the key properties of N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine?
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine has a molecular weight of 245.75 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine is sourced from PubChem (CID 115630423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).