2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide

C13H16N4O2 — CID 90554940

IUPAC2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
SMILESCOCC(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C13H16N4O2/c1-17-12(10-3-5-14-6-4-10)7-11(16-17)8-15-13(18)9-19-2/h3-7H,8-9H2,1-2H3,(H,15,18)
InChIKeyBPFXHZNLZWIXAV-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.74
Rot. Bonds5

About 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide

2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide (PubChem CID 90554940) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
PubChem CID90554940
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
SMILESCOCC(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C13H16N4O2/c1-17-12(10-3-5-14-6-4-10)7-11(16-17)8-15-13(18)9-19-2/h3-7H,8-9H2,1-2H3,(H,15,18)
InChIKeyBPFXHZNLZWIXAV-UHFFFAOYSA-N
XLogP0.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
2-(3-methoxyphenoxy)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90555028
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 71797550
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
CID 90555005
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 71797521
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
CID 97042298
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide (CID 90554940) is 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide is COCC(=O)NCc1cc(-c2ccncc2)n(C)n1.
What is the InChIKey of 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The InChIKey is BPFXHZNLZWIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-12(10-3-5-14-6-4-10)7-11(16-17)8-15-13(18)9-19-2/h3-7H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 90554940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).