N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide

C10H8N4OS — CID 79802018

IUPACN-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C10H8N4OS/c1-6-4-16-5-8(6)10(15)13-9-7(2-11)3-12-14-9/h3-5H,1H3,(H2,12,13,14,15)
InChIKeyGGASKXOVKSVYPF-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.90
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide (PubChem CID 79802018) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide
PubChem CID79802018
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C10H8N4OS/c1-6-4-16-5-8(6)10(15)13-9-7(2-11)3-12-14-9/h3-5H,1H3,(H2,12,13,14,15)
InChIKeyGGASKXOVKSVYPF-UHFFFAOYSA-N
XLogP1.90
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide (CID 79802018) is N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide?
The InChIKey is GGASKXOVKSVYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-6-4-16-5-8(6)10(15)13-9-7(2-11)3-12-14-9/h3-5H,1H3,(H2,12,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide has a molecular weight of 232.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).