ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine

C21H27N3O — CID 142202916

IUPACethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
SMILESCCOCc1ccccc1.Cc1ccc(C(C)c2cc(N)n[nH]2)cc1
InChIInChI=1S/C12H15N3.C9H12O/c1-8-3-5-10(6-4-8)9(2)11-7-12(13)15-14-11;1-2-10-8-9-6-4-3-5-7-9/h3-7,9H,1-2H3,(H3,13,14,15);3-7H,2,8H2,1H3
InChIKeyAQOKYUGVCFFKGP-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.68
Rot. Bonds5

About ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine

ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine (PubChem CID 142202916) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Nameethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
PubChem CID142202916
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Nameethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
SMILESCCOCc1ccccc1.Cc1ccc(C(C)c2cc(N)n[nH]2)cc1
InChIInChI=1S/C12H15N3.C9H12O/c1-8-3-5-10(6-4-8)9(2)11-7-12(13)15-14-11;1-2-10-8-9-6-4-3-5-7-9/h3-7,9H,1-2H3,(H3,13,14,15);3-7H,2,8H2,1H3
InChIKeyAQOKYUGVCFFKGP-UHFFFAOYSA-N
XLogP4.68
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine (CID 142202916) is ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine is CCOCc1ccccc1.Cc1ccc(C(C)c2cc(N)n[nH]2)cc1.
What is the InChIKey of ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is AQOKYUGVCFFKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C9H12O/c1-8-3-5-10(6-4-8)9(2)11-7-12(13)15-14-11;1-2-10-8-9-6-4-3-5-7-9/h3-7,9H,1-2H3,(H3,13,14,15);3-7H,2,8H2,1H3.
What are the key properties of ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine?
ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 337.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylbenzene;5-[1-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 142202916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).