N-(3-methoxy-1-methylpyrazol-4-yl)propanamide

C8H13N3O2 — CID 130841859

IUPACN-(3-methoxy-1-methylpyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1cn(C)nc1OC
InChIInChI=1S/C8H13N3O2/c1-4-7(12)9-6-5-11(2)10-8(6)13-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeyPBZLZHOJOPHGJH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.78
Rot. Bonds3

About N-(3-methoxy-1-methylpyrazol-4-yl)propanamide

N-(3-methoxy-1-methylpyrazol-4-yl)propanamide (PubChem CID 130841859) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(3-methoxy-1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxy-1-methylpyrazol-4-yl)propanamide
PubChem CID130841859
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(3-methoxy-1-methylpyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1cn(C)nc1OC
InChIInChI=1S/C8H13N3O2/c1-4-7(12)9-6-5-11(2)10-8(6)13-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeyPBZLZHOJOPHGJH-UHFFFAOYSA-N
XLogP0.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3-methoxy-1-methylpyrazol-4-yl)propanamide (CID 130841859) is N-(3-methoxy-1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-methoxy-1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-methoxy-1-methylpyrazol-4-yl)propanamide is CCC(=O)Nc1cn(C)nc1OC.
What is the InChIKey of N-(3-methoxy-1-methylpyrazol-4-yl)propanamide?
The InChIKey is PBZLZHOJOPHGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-7(12)9-6-5-11(2)10-8(6)13-3/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of N-(3-methoxy-1-methylpyrazol-4-yl)propanamide?
N-(3-methoxy-1-methylpyrazol-4-yl)propanamide has a molecular weight of 183.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 130841859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).