N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine

C16H23N3O — CID 66439565

IUPACN-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1c(CNC(C)C)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-5-16-13(10-17-12(2)3)11-18-19(16)14-6-8-15(20-4)9-7-14/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyIBUPLNFKICKMGB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.94
Rot. Bonds6

About N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine

N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66439565) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID66439565
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCCc1c(CNC(C)C)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-5-16-13(10-17-12(2)3)11-18-19(16)14-6-8-15(20-4)9-7-14/h6-9,11-12,17H,5,10H2,1-4H3
InChIKeyIBUPLNFKICKMGB-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-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-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine (CID 66439565) is N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine is CCc1c(CNC(C)C)cnn1-c1ccc(OC)cc1.
What is the InChIKey of N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is IBUPLNFKICKMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-16-13(10-17-12(2)3)11-18-19(16)14-6-8-15(20-4)9-7-14/h6-9,11-12,17H,5,10H2,1-4H3.
What are the key properties of N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66439565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).