[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine

C14H19N3O — CID 84760268

IUPAC[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCCOc1ccccc1-n1nc(C)c(CN)c1C
InChIInChI=1S/C14H19N3O/c1-4-18-14-8-6-5-7-13(14)17-11(3)12(9-15)10(2)16-17/h5-8H,4,9,15H2,1-3H3
InChIKeyMTOBPDXYEBRSLD-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds4

About [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine

[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 84760268) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID84760268
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCCOc1ccccc1-n1nc(C)c(CN)c1C
InChIInChI=1S/C14H19N3O/c1-4-18-14-8-6-5-7-13(14)17-11(3)12(9-15)10(2)16-17/h5-8H,4,9,15H2,1-3H3
InChIKeyMTOBPDXYEBRSLD-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
CID 84760285
[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
CID 82085269
[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82527967
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82467326
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596
4-(chloromethyl)-3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82091044
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485
1-(2-ethoxyphenyl)pyrazol-3-amine
CID 82396867
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
5-chloro-4-(chloromethyl)-1-(2-methoxyphenyl)-3-methylpyrazole
CID 63033333

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine (CID 84760268) is [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine is CCOc1ccccc1-n1nc(C)c(CN)c1C.
What is the InChIKey of [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is MTOBPDXYEBRSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-18-14-8-6-5-7-13(14)17-11(3)12(9-15)10(2)16-17/h5-8H,4,9,15H2,1-3H3.
What are the key properties of [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine?
[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 84760268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).