N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine

C18H27N3O — CID 75393144

IUPACN-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCCOc1cccc(CNc2cnn(CC(C)C)c2CC)c1
InChIInChI=1S/C18H27N3O/c1-5-18-17(12-20-21(18)13-14(3)4)19-11-15-8-7-9-16(10-15)22-6-2/h7-10,12,14,19H,5-6,11,13H2,1-4H3
InChIKeyXLJVVPYELGNLDA-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.11
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine

N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 75393144) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID75393144
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCCOc1cccc(CNc2cnn(CC(C)C)c2CC)c1
InChIInChI=1S/C18H27N3O/c1-5-18-17(12-20-21(18)13-14(3)4)19-11-15-8-7-9-16(10-15)22-6-2/h7-10,12,14,19H,5-6,11,13H2,1-4H3
InChIKeyXLJVVPYELGNLDA-UHFFFAOYSA-N
XLogP4.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-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 N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine (CID 75393144) is N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine is CCOc1cccc(CNc2cnn(CC(C)C)c2CC)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is XLJVVPYELGNLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-5-18-17(12-20-21(18)13-14(3)4)19-11-15-8-7-9-16(10-15)22-6-2/h7-10,12,14,19H,5-6,11,13H2,1-4H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine?
N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 301.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-5-ethyl-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 75393144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).