N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide

C11H10N4O2S — CID 81121566

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C11H10N4O2S/c1-15-10(7(4-12)5-13-15)14-11(16)9-3-8(17-2)6-18-9/h3,5-6H,1-2H3,(H,14,16)
InChIKeyFUIOBAIXMHMJFO-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.61
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 81121566) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide
PubChem CID81121566
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)Nc2c(C#N)cnn2C)c1
InChIInChI=1S/C11H10N4O2S/c1-15-10(7(4-12)5-13-15)14-11(16)9-3-8(17-2)6-18-9/h3,5-6H,1-2H3,(H,14,16)
InChIKeyFUIOBAIXMHMJFO-UHFFFAOYSA-N
XLogP1.61
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide (CID 81121566) is N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)Nc2c(C#N)cnn2C)c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is FUIOBAIXMHMJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-15-10(7(4-12)5-13-15)14-11(16)9-3-8(17-2)6-18-9/h3,5-6H,1-2H3,(H,14,16).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81121566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).