N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide

C13H14N4OS — CID 112723814

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
SMILESCn1ncc(C#N)c1NC(=O)CCCc1cccs1
InChIInChI=1S/C13H14N4OS/c1-17-13(10(8-14)9-15-17)16-12(18)6-2-4-11-5-3-7-19-11/h3,5,7,9H,2,4,6H2,1H3,(H,16,18)
InChIKeyXZVOZXASQSSDPC-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.31
Rot. Bonds5

About N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide

N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide (PubChem CID 112723814) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
PubChem CID112723814
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
SMILESCn1ncc(C#N)c1NC(=O)CCCc1cccs1
InChIInChI=1S/C13H14N4OS/c1-17-13(10(8-14)9-15-17)16-12(18)6-2-4-11-5-3-7-19-11/h3,5,7,9H,2,4,6H2,1H3,(H,16,18)
InChIKeyXZVOZXASQSSDPC-UHFFFAOYSA-N
XLogP2.31
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamothioyl-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 79499676
N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
CID 108760008
N-[6-[(4-cyano-1-methylpyrazol-5-yl)amino]-6-oxohexyl]benzamide
CID 108737029
N-[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 110483284
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
CID 134698261
N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 79503185
3-oxo-6-thiophen-2-ylhexanenitrile
CID 28905616
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide (CID 112723814) is N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide is Cn1ncc(C#N)c1NC(=O)CCCc1cccs1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is XZVOZXASQSSDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-17-13(10(8-14)9-15-17)16-12(18)6-2-4-11-5-3-7-19-11/h3,5,7,9H,2,4,6H2,1H3,(H,16,18).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide?
N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 274.35 g/mol, XLogP of 2.31, 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-5-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 112723814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).