N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine

C15H21N3O — CID 63173161

IUPACN-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C15H21N3O/c1-5-16-10-15-11(2)17-18(12(15)3)13-6-8-14(19-4)9-7-13/h6-9,16H,5,10H2,1-4H3
InChIKeyLOPNXJDYSJJDLP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 63173161) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID63173161
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C15H21N3O/c1-5-16-10-15-11(2)17-18(12(15)3)13-6-8-14(19-4)9-7-13/h6-9,16H,5,10H2,1-4H3
InChIKeyLOPNXJDYSJJDLP-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine 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

N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
N-[[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760406
N-[[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760401
1-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760326
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 111183544
3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79225724
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 61271139
N-[[3,5-dimethyl-1-(3-methylsulfanylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760444
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 60595873
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61272711
3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79219367

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine (CID 63173161) is N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(-c2ccc(OC)cc2)c1C.
What is the InChIKey of N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is LOPNXJDYSJJDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-16-10-15-11(2)17-18(12(15)3)13-6-8-14(19-4)9-7-13/h6-9,16H,5,10H2,1-4H3.
What are the key properties of N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 63173161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).