N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C15H20ClN3 — CID 43497238

IUPACN-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C15H20ClN3/c1-3-8-17-15(13-10-18-19(2)11-13)9-12-4-6-14(16)7-5-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyIYWFVEDCROSKOV-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 43497238) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID43497238
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C15H20ClN3/c1-3-8-17-15(13-10-18-19(2)11-13)9-12-4-6-14(16)7-5-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyIYWFVEDCROSKOV-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-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-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 65200711
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-[2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62902240
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126627
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 79003234
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 43497238) is N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1cnn(C)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is IYWFVEDCROSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-8-17-15(13-10-18-19(2)11-13)9-12-4-6-14(16)7-5-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.36, 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-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 43497238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).