1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine

C17H24ClN3 — CID 105183226

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1c(Cl)cnn1CC
InChIInChI=1S/C17H24ClN3/c1-4-19-16(17-15(18)12-20-21(17)5-2)11-10-14-8-6-13(3)7-9-14/h6-9,12,16,19H,4-5,10-11H2,1-3H3
InChIKeyYRIWYIRSPJQZJU-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.15
Rot. Bonds7

About 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine

1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105183226) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105183226
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1c(Cl)cnn1CC
InChIInChI=1S/C17H24ClN3/c1-4-19-16(17-15(18)12-20-21(17)5-2)11-10-14-8-6-13(3)7-9-14/h6-9,12,16,19H,4-5,10-11H2,1-3H3
InChIKeyYRIWYIRSPJQZJU-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)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

1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
CID 105040888
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 105183296
1-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105184165
1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105076952
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105183136
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105186575
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
CID 114658220
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-propylsulfanylethanamine
CID 114653588
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-3-pyridin-3-ylpropan-1-amine
CID 105186126
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105183138
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (CID 105183226) is 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is CCNC(CCc1ccc(C)cc1)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is YRIWYIRSPJQZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-19-16(17-15(18)12-20-21(17)5-2)11-10-14-8-6-13(3)7-9-14/h6-9,12,16,19H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105183226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).