(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine

C15H21N3O — CID 102812112

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine
SMILESCCc1nn(C)cc1C(N)c1ccc(OC)cc1C
InChIInChI=1S/C15H21N3O/c1-5-14-13(9-18(3)17-14)15(16)12-7-6-11(19-4)8-10(12)2/h6-9,15H,5,16H2,1-4H3
InChIKeyVHUZIOFOCXXOIU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.35
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine

(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine (PubChem CID 102812112) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine
PubChem CID102812112
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine
SMILESCCc1nn(C)cc1C(N)c1ccc(OC)cc1C
InChIInChI=1S/C15H21N3O/c1-5-14-13(9-18(3)17-14)15(16)12-7-6-11(19-4)8-10(12)2/h6-9,15H,5,16H2,1-4H3
InChIKeyVHUZIOFOCXXOIU-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812779
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102812622
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812253
(5-ethylfuran-2-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 79094304
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
CID 171265166
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine (CID 102812112) is (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine is CCc1nn(C)cc1C(N)c1ccc(OC)cc1C.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine?
The InChIKey is VHUZIOFOCXXOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-14-13(9-18(3)17-14)15(16)12-7-6-11(19-4)8-10(12)2/h6-9,15H,5,16H2,1-4H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine?
(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine has a molecular weight of 259.35 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 (3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 102812112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).