N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide

C14H16N4OS — CID 91662519

IUPACN-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCCCN(CC#N)C(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C14H16N4OS/c1-3-7-18(8-6-15)14(19)11-10-17(2)16-13(11)12-5-4-9-20-12/h4-5,9-10H,3,7-8H2,1-2H3
InChIKeyHWDGYZLEEQYCHX-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.52
Rot. Bonds5

About N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 91662519) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID91662519
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCCCN(CC#N)C(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C14H16N4OS/c1-3-7-18(8-6-15)14(19)11-10-17(2)16-13(11)12-5-4-9-20-12/h4-5,9-10H,3,7-8H2,1-2H3
InChIKeyHWDGYZLEEQYCHX-UHFFFAOYSA-N
XLogP2.52
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 91662519) is N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide is CCCN(CC#N)C(=O)c1cn(C)nc1-c1cccs1.
What is the InChIKey of N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is HWDGYZLEEQYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-7-18(8-6-15)14(19)11-10-17(2)16-13(11)12-5-4-9-20-12/h4-5,9-10H,3,7-8H2,1-2H3.
What are the key properties of N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-methyl-N-propyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 91662519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).