N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C15H22N4 — CID 105179874

IUPACN-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cccnc1)c1c(C)nn(C)c1C
InChIInChI=1S/C15H22N4/c1-5-17-14(9-13-7-6-8-16-10-13)15-11(2)18-19(4)12(15)3/h6-8,10,14,17H,5,9H2,1-4H3
InChIKeyGZSBYBATECKCLT-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.33
Rot. Bonds5

About N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105179874) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105179874
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cccnc1)c1c(C)nn(C)c1C
InChIInChI=1S/C15H22N4/c1-5-17-14(9-13-7-6-8-16-10-13)15-11(2)18-19(4)12(15)3/h6-8,10,14,17H,5,9H2,1-4H3
InChIKeyGZSBYBATECKCLT-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
2-(4-bromophenyl)-N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105088920
1-(2,6-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034466
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105157390
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160090
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 43314737
N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
1-(3-bromo-2-methylphenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 105034516
N-ethyl-1-[3-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanamine
CID 116544214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105179874) is N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCNC(Cc1cccnc1)c1c(C)nn(C)c1C.
What is the InChIKey of N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is GZSBYBATECKCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-17-14(9-13-7-6-8-16-10-13)15-11(2)18-19(4)12(15)3/h6-8,10,14,17H,5,9H2,1-4H3.
What are the key properties of N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105179874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).