N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine

C16H23N3 — CID 105104810

IUPACN-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cccc(C)c1)c1cnn(C)c1
InChIInChI=1S/C16H23N3/c1-4-17-16(15-11-18-19(3)12-15)9-8-14-7-5-6-13(2)10-14/h5-7,10-12,16-17H,4,8-9H2,1-3H3
InChIKeyDNUYBWHXSFHMIN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.01
Rot. Bonds6

About N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine

N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 105104810) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID105104810
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CCc1cccc(C)c1)c1cnn(C)c1
InChIInChI=1S/C16H23N3/c1-4-17-16(15-11-18-19(3)12-15)9-8-14-7-5-6-13(2)10-14/h5-7,10-12,16-17H,4,8-9H2,1-3H3
InChIKeyDNUYBWHXSFHMIN-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine 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-ethyl-3-(3-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 105104098
N-ethyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-1-amine
CID 65195286
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65195617
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-1-amine
CID 65195392
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 102653664
N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014636
4-(3-methylphenyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]butan-2-amine
CID 103871923
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 102803003
4-[4-bromo-3-(3-methylphenyl)butyl]-1-methylpyrazole
CID 103018542
[(1-methylpyrazol-4-yl)-(3-propylphenyl)methyl]hydrazine
CID 105228480

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 105104810) is N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine is CCNC(CCc1cccc(C)c1)c1cnn(C)c1.
What is the InChIKey of N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is DNUYBWHXSFHMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-17-16(15-11-18-19(3)12-15)9-8-14-7-5-6-13(2)10-14/h5-7,10-12,16-17H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105104810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).