2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine

C14H19N3O — CID 95457156

IUPAC2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCCOc1ccc(-n2ncc(CCN)c2C)cc1
InChIInChI=1S/C14H19N3O/c1-3-18-14-6-4-13(5-7-14)17-11(2)12(8-9-15)10-16-17/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyNFMUNZJVFRRIQR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.08
Rot. Bonds5

About 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine

2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine (PubChem CID 95457156) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
PubChem CID95457156
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCCOc1ccc(-n2ncc(CCN)c2C)cc1
InChIInChI=1S/C14H19N3O/c1-3-18-14-6-4-13(5-7-14)17-11(2)12(8-9-15)10-16-17/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyNFMUNZJVFRRIQR-UHFFFAOYSA-N
XLogP2.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291486
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 82527899
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82527897
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82527894
1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82086071
[5-cyclopropyl-1-(4-ethoxyphenyl)pyrazol-4-yl]methanamine
CID 107958644
4-(chloromethyl)-1-(4-ethoxyphenyl)-5-ethylpyrazole
CID 107958672
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanol
CID 105490895
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanol
CID 105498410

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine (CID 95457156) is 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine is CCOc1ccc(-n2ncc(CCN)c2C)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine?
The InChIKey is NFMUNZJVFRRIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-14-6-4-13(5-7-14)17-11(2)12(8-9-15)10-16-17/h4-7,10H,3,8-9,15H2,1-2H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine?
2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 95457156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).