2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine

C15H20ClN3 — CID 79443187

IUPAC2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
SMILESCCc1cc(CC(CN)c2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C15H20ClN3/c1-3-14-9-15(19(2)18-14)8-12(10-17)11-5-4-6-13(16)7-11/h4-7,9,12H,3,8,10,17H2,1-2H3
InChIKeyAVMDQAYSLKGPPJ-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine

2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine (PubChem CID 79443187) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
PubChem CID79443187
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
SMILESCCc1cc(CC(CN)c2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C15H20ClN3/c1-3-14-9-15(19(2)18-14)8-12(10-17)11-5-4-6-13(16)7-11/h4-7,9,12H,3,8,10,17H2,1-2H3
InChIKeyAVMDQAYSLKGPPJ-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035
2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79443116
[1-(3-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105317037
2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79433325
[1-(2,6-dichlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105209868
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
2-(3-chlorophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431093
2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79448466
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957
5-[3-bromo-2-(4-methylphenyl)propyl]-3-ethyl-1-methylpyrazole
CID 79437173
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
CID 66147462
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 79434391

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine (CID 79443187) is 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine is CCc1cc(CC(CN)c2cccc(Cl)c2)n(C)n1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine?
The InChIKey is AVMDQAYSLKGPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-14-9-15(19(2)18-14)8-12(10-17)11-5-4-6-13(16)7-11/h4-7,9,12H,3,8,10,17H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine?
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine is sourced from PubChem (CID 79443187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).