(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine

C17H25N3O — CID 106682077

IUPAC(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCCc1cc(C(N)c2c(C)cc(C)cc2OC)n(CC)n1
InChIInChI=1S/C17H25N3O/c1-6-13-10-14(20(7-2)19-13)17(18)16-12(4)8-11(3)9-15(16)21-5/h8-10,17H,6-7,18H2,1-5H3
InChIKeySWPBHMRFKGAPBZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.14
Rot. Bonds5

About (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine

(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine (PubChem CID 106682077) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
PubChem CID106682077
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCCc1cc(C(N)c2c(C)cc(C)cc2OC)n(CC)n1
InChIInChI=1S/C17H25N3O/c1-6-13-10-14(20(7-2)19-13)17(18)16-12(4)8-11(3)9-15(16)21-5/h8-10,17H,6-7,18H2,1-5H3
InChIKeySWPBHMRFKGAPBZ-UHFFFAOYSA-N
XLogP3.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707
(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105140273
2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
CID 106680712
(1,3-diethylpyrazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397297
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 106680723
(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680831

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine (CID 106682077) is (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine is CCc1cc(C(N)c2c(C)cc(C)cc2OC)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The InChIKey is SWPBHMRFKGAPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-13-10-14(20(7-2)19-13)17(18)16-12(4)8-11(3)9-15(16)21-5/h8-10,17H,6-7,18H2,1-5H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
(1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106682077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).