N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide

C11H16N4O2 — CID 114105647

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C11H16N4O2/c1-5-11(2,17-4)10(16)14-9-8(6-12)7-13-15(9)3/h7H,5H2,1-4H3,(H,14,16)
InChIKeyPPGSRZQGDIQMJS-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.05
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide (PubChem CID 114105647) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide
PubChem CID114105647
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide
SMILESCCC(C)(OC)C(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C11H16N4O2/c1-5-11(2,17-4)10(16)14-9-8(6-12)7-13-15(9)3/h7H,5H2,1-4H3,(H,14,16)
InChIKeyPPGSRZQGDIQMJS-UHFFFAOYSA-N
XLogP1.05
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-1-[2-(2-ethoxyethoxy)propanoyl]pyrazole-4-carbonitrile
CID 51100206
N-(4-cyano-1-methylpyrazol-3-yl)-2-methoxy-3-methylpentanamide
CID 132382887
N-(4-cyano-1-methylpyrazol-5-yl)-4,4,4-trifluorobutanamide
CID 79504314
N-(4-cyano-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208287
N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208296
N-(4-cyano-1-methylpyrazol-5-yl)pentanamide
CID 108737023
N-[4-cyano-1-(2-methoxyethyl)pyrazol-5-yl]formamide
CID 151991359
2-(5-Acetamido-4-cyanopyrazol-1-yl)ethyl acetate
CID 219853
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 79499963
N-(4-cyano-1-methylpyrazol-5-yl)-3-ethoxypropanamide
CID 79503383
N-(4-cyano-1-methylpyrazol-5-yl)-2,2-dimethylbutanamide
CID 79503477
N-(4-cyano-1-methylpyrazol-5-yl)-3-propoxypropanamide
CID 79503478

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide (CID 114105647) is N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide is CCC(C)(OC)C(=O)Nc1c(C#N)cnn1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide?
The InChIKey is PPGSRZQGDIQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-5-11(2,17-4)10(16)14-9-8(6-12)7-13-15(9)3/h7H,5H2,1-4H3,(H,14,16).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-methoxy-2-methylbutanamide has a molecular weight of 236.27 g/mol, XLogP of 1.05, 4 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-5-yl)-2-methoxy-2-methylbutanamide is sourced from PubChem (CID 114105647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).