N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C17H25N3O — CID 79491562

IUPACN-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1cccc(-c2nn(C)cc2CNC(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-6-21-15-9-7-8-13(10-15)16-14(12-20(5)19-16)11-18-17(2,3)4/h7-10,12,18H,6,11H2,1-5H3
InChIKeyZRFAIBNOPFCHTP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.37
Rot. Bonds5

About N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79491562) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79491562
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1cccc(-c2nn(C)cc2CNC(C)(C)C)c1
InChIInChI=1S/C17H25N3O/c1-6-21-15-9-7-8-13(10-15)16-14(12-20(5)19-16)11-18-17(2,3)4/h7-10,12,18H,6,11H2,1-5H3
InChIKeyZRFAIBNOPFCHTP-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-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-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79491562) is N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCOc1cccc(-c2nn(C)cc2CNC(C)(C)C)c1.
What is the InChIKey of N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZRFAIBNOPFCHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-21-15-9-7-8-13(10-15)16-14(12-20(5)19-16)11-18-17(2,3)4/h7-10,12,18H,6,11H2,1-5H3.
What are the key properties of N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79491562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).