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

C12H15ClN4O — CID 114929109

IUPAC1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
SMILESCCn1cc(Oc2cc(CNC)c(Cl)cn2)cn1
InChIInChI=1S/C12H15ClN4O/c1-3-17-8-10(6-16-17)18-12-4-9(5-14-2)11(13)7-15-12/h4,6-8,14H,3,5H2,1-2H3
InChIKeyAAYDHLKYGZSMJT-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.46
Rot. Bonds5

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

1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine (PubChem CID 114929109) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
PubChem CID114929109
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
SMILESCCn1cc(Oc2cc(CNC)c(Cl)cn2)cn1
InChIInChI=1S/C12H15ClN4O/c1-3-17-8-10(6-16-17)18-12-4-9(5-14-2)11(13)7-15-12/h4,6-8,14H,3,5H2,1-2H3
InChIKeyAAYDHLKYGZSMJT-UHFFFAOYSA-N
XLogP2.46
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-(3,5-dimethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114927908
1-[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 116802117
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
1-[2-(1-ethylpyrazol-4-yl)oxyquinolin-4-yl]-N-methylmethanamine
CID 116802845
1-[2-(4-tert-butylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928111
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114929107
1-[5-bromo-2-(1-ethylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114061875
1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928464
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
5-chloro-N-ethyl-4-(1-ethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806063

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine (CID 114929109) is 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine is CCn1cc(Oc2cc(CNC)c(Cl)cn2)cn1.
What is the InChIKey of 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine?
The InChIKey is AAYDHLKYGZSMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-17-8-10(6-16-17)18-12-4-9(5-14-2)11(13)7-15-12/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine has a molecular weight of 266.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114929109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).