1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine

C13H18N4O — CID 116801689

IUPAC1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine
SMILESCCn1cc(Oc2ccc(C(C)NC)nc2)cn1
InChIInChI=1S/C13H18N4O/c1-4-17-9-12(8-16-17)18-11-5-6-13(15-7-11)10(2)14-3/h5-10,14H,4H2,1-3H3
InChIKeyBGRZFHKIGGTCPJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.37
Rot. Bonds5

About 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine

1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine (PubChem CID 116801689) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine
PubChem CID116801689
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine
SMILESCCn1cc(Oc2ccc(C(C)NC)nc2)cn1
InChIInChI=1S/C13H18N4O/c1-4-17-9-12(8-16-17)18-11-5-6-13(15-7-11)10(2)14-3/h5-10,14H,4H2,1-3H3
InChIKeyBGRZFHKIGGTCPJ-UHFFFAOYSA-N
XLogP2.37
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]ethanamine
CID 116801748
1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801665
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
4-(4-bromophenoxy)-1-ethylpyrazole
CID 117229573
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 83127836
4-(1-ethylpyrazol-4-yl)oxyaniline
CID 116800266
N-methyl-1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123208
(1S)-1-[4-(1-ethylpyrazol-4-yl)oxyphenyl]propan-1-ol
CID 114066991
N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine
CID 83111621
3-[[6-[1-(methylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124087
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83127027
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine?
The IUPAC name of 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine (CID 116801689) is 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine?
The canonical SMILES for 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine is CCn1cc(Oc2ccc(C(C)NC)nc2)cn1.
What is the InChIKey of 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine?
The InChIKey is BGRZFHKIGGTCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-17-9-12(8-16-17)18-11-5-6-13(15-7-11)10(2)14-3/h5-10,14H,4H2,1-3H3.
What are the key properties of 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine?
1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-ethylpyrazol-4-yl)oxy-2-pyridinyl]-N-methylethanamine is sourced from PubChem (CID 116801689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).