N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide

C10H14N4O2 — CID 107938878

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1nn(C)cc1C#N
InChIInChI=1S/C10H14N4O2/c1-3-4-16-7-9(15)12-10-8(5-11)6-14(2)13-10/h6H,3-4,7H2,1-2H3,(H,12,13,15)
InChIKeyPSSDKPCILQLMAM-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.66
Rot. Bonds5

About N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide

N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide (PubChem CID 107938878) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide
PubChem CID107938878
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1nn(C)cc1C#N
InChIInChI=1S/C10H14N4O2/c1-3-4-16-7-9(15)12-10-8(5-11)6-14(2)13-10/h6H,3-4,7H2,1-2H3,(H,12,13,15)
InChIKeyPSSDKPCILQLMAM-UHFFFAOYSA-N
XLogP0.66
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)octanamide
CID 112696255
N-(4-cyano-1-methylpyrazol-3-yl)heptanamide
CID 114752737
N-(1-methyl-4-sulfamoylpyrazol-3-yl)-2-propoxyacetamide
CID 107940637
N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide
CID 103163618
N-(4-cyano-1-methylpyrazol-3-yl)cyclopentanecarboxamide
CID 112696251
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113430347
N-(4-amino-2-cyanophenyl)-2-propoxyacetamide
CID 107937420
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170
ethyl 2-[(4-cyano-1-methylpyrazol-3-yl)sulfamoyl]acetate
CID 104593262
3-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696256
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide (CID 107938878) is N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide is CCCOCC(=O)Nc1nn(C)cc1C#N.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide?
The InChIKey is PSSDKPCILQLMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-4-16-7-9(15)12-10-8(5-11)6-14(2)13-10/h6H,3-4,7H2,1-2H3,(H,12,13,15).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide?
N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide has a molecular weight of 222.25 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-2-propoxyacetamide is sourced from PubChem (CID 107938878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).