2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine

C15H20ClN3 — CID 55073071

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine
SMILESCCNCC(c1ccccc1)n1nc(C)c(Cl)c1C
InChIInChI=1S/C15H20ClN3/c1-4-17-10-14(13-8-6-5-7-9-13)19-12(3)15(16)11(2)18-19/h5-9,14,17H,4,10H2,1-3H3
InChIKeyLUNIYCMZNCLAPL-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine (PubChem CID 55073071) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine
PubChem CID55073071
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine
SMILESCCNCC(c1ccccc1)n1nc(C)c(Cl)c1C
InChIInChI=1S/C15H20ClN3/c1-4-17-10-14(13-8-6-5-7-9-13)19-12(3)15(16)11(2)18-19/h5-9,14,17H,4,10H2,1-3H3
InChIKeyLUNIYCMZNCLAPL-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949143
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine
CID 55038887
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-ethyl-2-indazol-1-yl-2-phenylethanamine
CID 62448087
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine
CID 62131019
2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
CID 62129333
N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine
CID 63166626
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83044783
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
CID 114413305
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19537869
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-2-phenylethanamine
CID 64579466
N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549421

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine (CID 55073071) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine is CCNCC(c1ccccc1)n1nc(C)c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine?
The InChIKey is LUNIYCMZNCLAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-17-10-14(13-8-6-5-7-9-13)19-12(3)15(16)11(2)18-19/h5-9,14,17H,4,10H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 55073071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).