N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide

C12H20N4O2 — CID 47140649

IUPACN-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-5-16(8-11(17)14-9(2)3)12(18)10-6-13-15(4)7-10/h6-7,9H,5,8H2,1-4H3,(H,14,17)
InChIKeyQTCOGDKPJXIXJV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.41
Rot. Bonds5

About N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide

N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 47140649) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
PubChem CID47140649
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cnn(C)c1
InChIInChI=1S/C12H20N4O2/c1-5-16(8-11(17)14-9(2)3)12(18)10-6-13-15(4)7-10/h6-7,9H,5,8H2,1-4H3,(H,14,17)
InChIKeyQTCOGDKPJXIXJV-UHFFFAOYSA-N
XLogP0.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
CID 65354414
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
5-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 60725372
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 54987485
N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61115969
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide (CID 47140649) is N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1cnn(C)c1.
What is the InChIKey of N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?
The InChIKey is QTCOGDKPJXIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-16(8-11(17)14-9(2)3)12(18)10-6-13-15(4)7-10/h6-7,9H,5,8H2,1-4H3,(H,14,17).
What are the key properties of N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide?
N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 47140649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).