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

C13H17N3O — CID 82527967

IUPAC[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
SMILESCCOc1ccccc1-n1ncc(CN)c1C
InChIInChI=1S/C13H17N3O/c1-3-17-13-7-5-4-6-12(13)16-10(2)11(8-14)9-15-16/h4-7,9H,3,8,14H2,1-2H3
InChIKeyLLVBICOWUPBSKG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds4

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

[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine (PubChem CID 82527967) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
PubChem CID82527967
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine
SMILESCCOc1ccccc1-n1ncc(CN)c1C
InChIInChI=1S/C13H17N3O/c1-3-17-13-7-5-4-6-12(13)16-10(2)11(8-14)9-15-16/h4-7,9H,3,8,14H2,1-2H3
InChIKeyLLVBICOWUPBSKG-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760268
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methanamine
CID 66441482
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
4-(chloromethyl)-1-(2-ethylphenyl)-5-methylpyrazole
CID 82528707
[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82307236
5-tert-butyl-1-(2-ethoxyphenyl)pyrazole-4-carboxylic acid
CID 82361311
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
[3,5-dimethyl-1-(2-propoxyphenyl)pyrazol-4-yl]methanamine
CID 84760285
3-amino-1-(2-ethoxyphenyl)-6-methylpyridazin-4-one
CID 82467326
[5-methyl-1-(2-propoxyphenyl)triazol-4-yl]methanamine
CID 82199485

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine (CID 82527967) is [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine is CCOc1ccccc1-n1ncc(CN)c1C.
What is the InChIKey of [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine?
The InChIKey is LLVBICOWUPBSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-13-7-5-4-6-12(13)16-10(2)11(8-14)9-15-16/h4-7,9H,3,8,14H2,1-2H3.
What are the key properties of [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine?
[1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyphenyl)-5-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 82527967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).