N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C16H24N4O — CID 105175253

IUPACN-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)c1cncc(OC)c1
InChIInChI=1S/C16H24N4O/c1-6-18-16(13-7-14(21-5)10-17-9-13)8-15-11(2)19-20(4)12(15)3/h7,9-10,16,18H,6,8H2,1-5H3
InChIKeySMJVUQYRVPKJMD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds6

About N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105175253) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105175253
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)c1cncc(OC)c1
InChIInChI=1S/C16H24N4O/c1-6-18-16(13-7-14(21-5)10-17-9-13)8-15-11(2)19-20(4)12(15)3/h7,9-10,16,18H,6,8H2,1-5H3
InChIKeySMJVUQYRVPKJMD-UHFFFAOYSA-N
XLogP2.33
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105329848
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
1-(5-methoxy-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105121224
2-(2,3-difluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026123
1-(2,5-difluorophenyl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105143859
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105142748
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 82790001
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105183138
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105158795
1-(1,5-dimethylpyrazol-3-yl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 114219334
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine
CID 103312224

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105175253) is N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCNC(Cc1c(C)nn(C)c1C)c1cncc(OC)c1.
What is the InChIKey of N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is SMJVUQYRVPKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-18-16(13-7-14(21-5)10-17-9-13)8-15-11(2)19-20(4)12(15)3/h7,9-10,16,18H,6,8H2,1-5H3.
What are the key properties of N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 288.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methoxy-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105175253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).