N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine

C12H15N3O — CID 82706482

IUPACN-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCONC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H15N3O/c1-10(14-16-2)11-8-13-15(9-11)12-6-4-3-5-7-12/h3-10,14H,1-2H3
InChIKeyRSDBVBIKKPEMFF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.08
Rot. Bonds4

About N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine

N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 82706482) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID82706482
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCONC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H15N3O/c1-10(14-16-2)11-8-13-15(9-11)12-6-4-3-5-7-12/h3-10,14H,1-2H3
InChIKeyRSDBVBIKKPEMFF-UHFFFAOYSA-N
XLogP2.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
1-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-methylethanamine
CID 105489793
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
CID 103785449
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
(1-phenylpyrazol-4-yl)methanediol
CID 70397428

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine (CID 82706482) is N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine is CONC(C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is RSDBVBIKKPEMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10(14-16-2)11-8-13-15(9-11)12-6-4-3-5-7-12/h3-10,14H,1-2H3.
What are the key properties of N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine?
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 82706482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).