N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide

C9H15N3O2 — CID 171522969

IUPACN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc(OC)n(C)n1
InChIInChI=1S/C9H15N3O2/c1-4-8(13)10-6-7-5-9(14-3)12(2)11-7/h5H,4,6H2,1-3H3,(H,10,13)
InChIKeyVWQMYPQRLKQXEL-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.45
Rot. Bonds4

About N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 171522969) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide
PubChem CID171522969
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc(OC)n(C)n1
InChIInChI=1S/C9H15N3O2/c1-4-8(13)10-6-7-5-9(14-3)12(2)11-7/h5H,4,6H2,1-3H3,(H,10,13)
InChIKeyVWQMYPQRLKQXEL-UHFFFAOYSA-N
XLogP0.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide (CID 171522969) is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide is CCC(=O)NCc1cc(OC)n(C)n1.
What is the InChIKey of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is VWQMYPQRLKQXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-8(13)10-6-7-5-9(14-3)12(2)11-7/h5H,4,6H2,1-3H3,(H,10,13).
What are the key properties of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide?
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 197.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 171522969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).