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

C13H20ClN5 — CID 105180408

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1c(C)nn(C)c1Cl)c1cc(C)nn1C
InChIInChI=1S/C13H20ClN5/c1-8-6-12(18(4)16-8)11(15-3)7-10-9(2)17-19(5)13(10)14/h6,11,15H,7H2,1-5H3
InChIKeyRAWVXOHNXINUCD-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.93
Rot. Bonds4

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (PubChem CID 105180408) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
PubChem CID105180408
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1c(C)nn(C)c1Cl)c1cc(C)nn1C
InChIInChI=1S/C13H20ClN5/c1-8-6-12(18(4)16-8)11(15-3)7-10-9(2)17-19(5)13(10)14/h6,11,15H,7H2,1-5H3
InChIKeyRAWVXOHNXINUCD-UHFFFAOYSA-N
XLogP1.93
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105180440
1-(4-chloro-2,5-difluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105034948
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105180268
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946702
1-(2-bromo-4-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105034943
1-(2-bromo-4-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 107995113
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105190505
1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
CID 112709780
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,6-difluoro-3-methylphenyl)-N-methylethanamine
CID 105035152
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 113470221
1-(2-bromo-5-fluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105034877
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 105034936

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (CID 105180408) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is CNC(Cc1c(C)nn(C)c1Cl)c1cc(C)nn1C.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is RAWVXOHNXINUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-8-6-12(18(4)16-8)11(15-3)7-10-9(2)17-19(5)13(10)14/h6,11,15H,7H2,1-5H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine has a molecular weight of 281.79 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 105180408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).