N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine

C17H18N4 — CID 83109942

IUPACN-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(-n2cc(-c3ccccc3)cn2)cn1
InChIInChI=1S/C17H18N4/c1-13(18-2)17-9-8-16(11-19-17)21-12-15(10-20-21)14-6-4-3-5-7-14/h3-13,18H,1-2H3
InChIKeyXJYJWPQAKOQUJJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.21
Rot. Bonds4

About N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine

N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83109942) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine
PubChem CID83109942
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(-n2cc(-c3ccccc3)cn2)cn1
InChIInChI=1S/C17H18N4/c1-13(18-2)17-9-8-16(11-19-17)21-12-15(10-20-21)14-6-4-3-5-7-14/h3-13,18H,1-2H3
InChIKeyXJYJWPQAKOQUJJ-UHFFFAOYSA-N
XLogP3.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine (CID 83109942) is N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine is CNC(C)c1ccc(-n2cc(-c3ccccc3)cn2)cn1.
What is the InChIKey of N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is XJYJWPQAKOQUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13(18-2)17-9-8-16(11-19-17)21-12-15(10-20-21)14-6-4-3-5-7-14/h3-13,18H,1-2H3.
What are the key properties of N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine?
N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-phenylpyrazol-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83109942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).