N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide

C10H17N3O2 — CID 134314281

IUPACN-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(C)[nH]n(CC)c1=O
InChIInChI=1S/C10H17N3O2/c1-4-9(14)11-6-8-7(3)12-13(5-2)10(8)15/h12H,4-6H2,1-3H3,(H,11,14)
InChIKeyHCVSTSOSTUIMHW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.53
Rot. Bonds4

About N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide

N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 134314281) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID134314281
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(C)[nH]n(CC)c1=O
InChIInChI=1S/C10H17N3O2/c1-4-9(14)11-6-8-7(3)12-13(5-2)10(8)15/h12H,4-6H2,1-3H3,(H,11,14)
InChIKeyHCVSTSOSTUIMHW-UHFFFAOYSA-N
XLogP0.53
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-methyl-3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]propanamide
CID 129034363
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 142300586
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 139395079
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
N-[(3,5-dichloro-4-pyridinyl)methyl]propanamide
CID 69277487
N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 110783031
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30865476
N-[(4-acetylphenyl)methyl]propanamide
CID 20825268
N-[(4-methyl-3-sulfanylphenyl)methyl]propanamide
CID 91363182
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110325136

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide (CID 134314281) is N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide is CCC(=O)NCc1c(C)[nH]n(CC)c1=O.
What is the InChIKey of N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is HCVSTSOSTUIMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-9(14)11-6-8-7(3)12-13(5-2)10(8)15/h12H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide?
N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 211.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 134314281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).