(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine

C15H21N3O3 — CID 115857825

IUPAC(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCCn1nccc1C(N)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C15H21N3O3/c1-5-18-11(6-7-17-18)15(16)10-8-13(20-3)14(21-4)9-12(10)19-2/h6-9,15H,5,16H2,1-4H3
InChIKeyDGFJDEQEQSPBMA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.98
Rot. Bonds6

About (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine

(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 115857825) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID115857825
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCCn1nccc1C(N)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C15H21N3O3/c1-5-18-11(6-7-17-18)15(16)10-8-13(20-3)14(21-4)9-12(10)19-2/h6-9,15H,5,16H2,1-4H3
InChIKeyDGFJDEQEQSPBMA-UHFFFAOYSA-N
XLogP1.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)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

(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine
CID 63976398
(2-ethylpyrazol-3-yl)-(2-methylfuran-3-yl)methanamine
CID 104789763
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
(1,5-dimethylpyrazol-4-yl)-(2-ethylpyrazol-3-yl)methanamine
CID 105148404
(2-ethylpyrazol-3-yl)-quinolin-8-ylmethanamine
CID 105148379
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792297
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
(1-ethyl-4-methoxypyrazol-5-yl)-(2-ethylpyrazol-3-yl)methanol
CID 114638723
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine (CID 115857825) is (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine is CCn1nccc1C(N)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is DGFJDEQEQSPBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-18-11(6-7-17-18)15(16)10-8-13(20-3)14(21-4)9-12(10)19-2/h6-9,15H,5,16H2,1-4H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine?
(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 291.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 115857825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).