2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide

C9H15N3O2 — CID 121368070

IUPAC2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide
SMILESCc1[nH][nH]c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C9H15N3O2/c1-5(2)8(13)10-4-7-6(3)11-12-9(7)14/h5H,4H2,1-3H3,(H,10,13)(H2,11,12,14)
InChIKeyHIDPGSKVDWHPGN-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.28
Rot. Bonds3

About 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide

2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide (PubChem CID 121368070) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide
PubChem CID121368070
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide
SMILESCc1[nH][nH]c(=O)c1CNC(=O)C(C)C
InChIInChI=1S/C9H15N3O2/c1-5(2)8(13)10-4-7-6(3)11-12-9(7)14/h5H,4H2,1-3H3,(H,10,13)(H2,11,12,14)
InChIKeyHIDPGSKVDWHPGN-UHFFFAOYSA-N
XLogP0.28
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide (CID 121368070) is 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide is Cc1[nH][nH]c(=O)c1CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide?
The InChIKey is HIDPGSKVDWHPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(2)8(13)10-4-7-6(3)11-12-9(7)14/h5H,4H2,1-3H3,(H,10,13)(H2,11,12,14).
What are the key properties of 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide?
2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide has a molecular weight of 197.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 121368070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).