N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine

C17H26N4 — CID 83109750

IUPACN-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-n2nc(C)c(CC)c2C)cn1
InChIInChI=1S/C17H26N4/c1-6-10-18-13(4)17-9-8-15(11-19-17)21-14(5)16(7-2)12(3)20-21/h8-9,11,13,18H,6-7,10H2,1-5H3
InChIKeyKSSYRGMRONMGIB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.51
Rot. Bonds6

About N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83109750) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83109750
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-n2nc(C)c(CC)c2C)cn1
InChIInChI=1S/C17H26N4/c1-6-10-18-13(4)17-9-8-15(11-19-17)21-14(5)16(7-2)12(3)20-21/h8-9,11,13,18H,6-7,10H2,1-5H3
InChIKeyKSSYRGMRONMGIB-UHFFFAOYSA-N
XLogP3.51
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine (CID 83109750) is N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-n2nc(C)c(CC)c2C)cn1.
What is the InChIKey of N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is KSSYRGMRONMGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-6-10-18-13(4)17-9-8-15(11-19-17)21-14(5)16(7-2)12(3)20-21/h8-9,11,13,18H,6-7,10H2,1-5H3.
What are the key properties of N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83109750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).