N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine

C14H19N3O — CID 105165630

IUPACN-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCCNC(COC)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-3-15-14(11-18-2)12-9-16-17(10-12)13-7-5-4-6-8-13/h4-10,14-15H,3,11H2,1-2H3
InChIKeyHHVNZZRNEJRGLD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.17
Rot. Bonds6

About N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine

N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 105165630) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID105165630
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCCNC(COC)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H19N3O/c1-3-15-14(11-18-2)12-9-16-17(10-12)13-7-5-4-6-8-13/h4-10,14-15H,3,11H2,1-2H3
InChIKeyHHVNZZRNEJRGLD-UHFFFAOYSA-N
XLogP2.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169186
[1-(1-phenylpyrazol-4-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323696
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
3,3-dimethyl-1-(1-phenylpyrazol-4-yl)-N-propylbutan-1-amine
CID 43497373
2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
CID 62541695
4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
CID 103785449
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine
CID 105112397
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine (CID 105165630) is N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine is CCNC(COC)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is HHVNZZRNEJRGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-15-14(11-18-2)12-9-16-17(10-12)13-7-5-4-6-8-13/h4-10,14-15H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine?
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105165630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).