2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

C13H19N5 — CID 115530275

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccnc(C)n2)n(C)n1
InChIInChI=1S/C13H19N5/c1-4-10-7-11(18(3)17-10)8-12(14)13-5-6-15-9(2)16-13/h5-7,12H,4,8,14H2,1-3H3
InChIKeyQXTGTVRHMWQPGL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.32
Rot. Bonds4

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 115530275) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID115530275
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccnc(C)n2)n(C)n1
InChIInChI=1S/C13H19N5/c1-4-10-7-11(18(3)17-10)8-12(14)13-5-6-15-9(2)16-13/h5-7,12H,4,8,14H2,1-3H3
InChIKeyQXTGTVRHMWQPGL-UHFFFAOYSA-N
XLogP1.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 104999307
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 113329351
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530162
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269230
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999216
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999104
1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999266
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 115530275) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is CCc1cc(CC(N)c2ccnc(C)n2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is QXTGTVRHMWQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-10-7-11(18(3)17-10)8-12(14)13-5-6-15-9(2)16-13/h5-7,12H,4,8,14H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 115530275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).