2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine

C15H20ClN3 — CID 79225621

IUPAC2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C15H20ClN3/c1-4-17-9-8-15-11(2)18-19(12(15)3)14-7-5-6-13(16)10-14/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyVIRKJVRGTMAEGQ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.29
Rot. Bonds5

About 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine

2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine (PubChem CID 79225621) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
PubChem CID79225621
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C15H20ClN3/c1-4-17-9-8-15-11(2)18-19(12(15)3)14-7-5-6-13(16)10-14/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyVIRKJVRGTMAEGQ-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225050
N-[2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79224678
3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79219367
2-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79225696
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
N-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79220337
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79220516
N-[(3-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9427471
N-[[3,5-dimethyl-1-(3-methylsulfanylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760444
N-[[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760401
3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79218619

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine?
The IUPAC name of 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine (CID 79225621) is 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine is CCNCCc1c(C)nn(-c2cccc(Cl)c2)c1C.
What is the InChIKey of 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine?
The InChIKey is VIRKJVRGTMAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-17-9-8-15-11(2)18-19(12(15)3)14-7-5-6-13(16)10-14/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine?
2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 79225621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).