2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

C9H15N3O — CID 169317861

IUPAC2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-7(2)9(13)10-4-3-8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyHBADMPJWKWJMOZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.72
Rot. Bonds4

About 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide

2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 169317861) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID169317861
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-7(2)9(13)10-4-3-8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyHBADMPJWKWJMOZ-UHFFFAOYSA-N
XLogP0.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide (CID 169317861) is 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is CC(C)C(=O)NCCc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is HBADMPJWKWJMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)9(13)10-4-3-8-5-11-12-6-8/h5-7H,3-4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide?
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 169317861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).