N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide

C10H8N4OS — CID 17144376

IUPACN-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C10H8N4OS/c1-14-8(2-4-12-14)9(15)13-10-7(6-11)3-5-16-10/h2-5H,1H3,(H,13,15)
InChIKeyAWOOVULFOGGGFX-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.61
Rot. Bonds2

About N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide

N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 17144376) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID17144376
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC NameN-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C10H8N4OS/c1-14-8(2-4-12-14)9(15)13-10-7(6-11)3-5-16-10/h2-5H,1H3,(H,13,15)
InChIKeyAWOOVULFOGGGFX-UHFFFAOYSA-N
XLogP1.61
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide (CID 17144376) is N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1sccc1C#N.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is AWOOVULFOGGGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-14-8(2-4-12-14)9(15)13-10-7(6-11)3-5-16-10/h2-5H,1H3,(H,13,15).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide?
N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 232.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17144376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).