N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

C17H26N4 — CID 62287573

IUPACN-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1-n1nc(C)c(CC)c1C
InChIInChI=1S/C17H26N4/c1-7-15-13(5)20-21(14(15)6)17-16(10-18-8-2)11(3)9-12(4)19-17/h9,18H,7-8,10H2,1-6H3
InChIKeyUGMHFCISUMIDLR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.17
Rot. Bonds5

About N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine

N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (PubChem CID 62287573) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
PubChem CID62287573
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1-n1nc(C)c(CC)c1C
InChIInChI=1S/C17H26N4/c1-7-15-13(5)20-21(14(15)6)17-16(10-18-8-2)11(3)9-12(4)19-17/h9,18H,7-8,10H2,1-6H3
InChIKeyUGMHFCISUMIDLR-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine (CID 62287573) is N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1-n1nc(C)c(CC)c1C.
What is the InChIKey of N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is UGMHFCISUMIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-7-15-13(5)20-21(14(15)6)17-16(10-18-8-2)11(3)9-12(4)19-17/h9,18H,7-8,10H2,1-6H3.
What are the key properties of N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine?
N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62287573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).