5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile

C12H9N3OS — CID 2822904

IUPAC5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2cccs2)c1C1CC1
InChIInChI=1S/C12H9N3OS/c13-6-9-7-14-15(11(9)8-3-4-8)12(16)10-2-1-5-17-10/h1-2,5,7-8H,3-4H2
InChIKeyPLYACWUKKBQQNP-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.38
Rot. Bonds2

About 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile

5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile (PubChem CID 2822904) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile
PubChem CID2822904
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)c2cccs2)c1C1CC1
InChIInChI=1S/C12H9N3OS/c13-6-9-7-14-15(11(9)8-3-4-8)12(16)10-2-1-5-17-10/h1-2,5,7-8H,3-4H2
InChIKeyPLYACWUKKBQQNP-UHFFFAOYSA-N
XLogP2.38
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile (CID 2822904) is 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)c2cccs2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile?
The InChIKey is PLYACWUKKBQQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-6-9-7-14-15(11(9)8-3-4-8)12(16)10-2-1-5-17-10/h1-2,5,7-8H,3-4H2.
What are the key properties of 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile?
5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile has a molecular weight of 243.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(thiophene-2-carbonyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 2822904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).