5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile

C10H8N4OS — CID 146673800

IUPAC5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile
SMILESCc1nn(C(=O)c2cccs2)c(N)c1C#N
InChIInChI=1S/C10H8N4OS/c1-6-7(5-11)9(12)14(13-6)10(15)8-3-2-4-16-8/h2-4H,12H2,1H3
InChIKeyZSVVLWORPADNHR-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.40
Rot. Bonds1

About 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile

5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile (PubChem CID 146673800) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile
PubChem CID146673800
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile
SMILESCc1nn(C(=O)c2cccs2)c(N)c1C#N
InChIInChI=1S/C10H8N4OS/c1-6-7(5-11)9(12)14(13-6)10(15)8-3-2-4-16-8/h2-4H,12H2,1H3
InChIKeyZSVVLWORPADNHR-UHFFFAOYSA-N
XLogP1.40
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile (CID 146673800) is 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile is Cc1nn(C(=O)c2cccs2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile?
The InChIKey is ZSVVLWORPADNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-6-7(5-11)9(12)14(13-6)10(15)8-3-2-4-16-8/h2-4H,12H2,1H3.
What are the key properties of 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile?
5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 146673800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).