N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine

C16H22ClN3 — CID 105085259

IUPACN-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cnn(C)c1C
InChIInChI=1S/C16H22ClN3/c1-4-9-18-16(15-11-19-20(3)12(15)2)10-13-5-7-14(17)8-6-13/h5-8,11,16,18H,4,9-10H2,1-3H3
InChIKeyWLJACJIYIDZDMC-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 105085259) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID105085259
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cnn(C)c1C
InChIInChI=1S/C16H22ClN3/c1-4-9-18-16(15-11-19-20(3)12(15)2)10-13-5-7-14(17)8-6-13/h5-8,11,16,18H,4,9-10H2,1-3H3
InChIKeyWLJACJIYIDZDMC-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]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-[2-(3-bromo-4-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105111304
2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 107892213
N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497238
1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 103910362
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
1-(1,5-dimethylpyrazol-4-yl)-N-propylhex-4-yn-1-amine
CID 105181368
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[2-(4-bromothiophen-2-yl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105139141
2-(4-chloroanilino)-2-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584301
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 105085259) is N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1cnn(C)c1C.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is WLJACJIYIDZDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-9-18-16(15-11-19-20(3)12(15)2)10-13-5-7-14(17)8-6-13/h5-8,11,16,18H,4,9-10H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 291.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105085259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).