N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide

C12H16N4O — CID 1214840

IUPACN-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide
SMILESCc1nn(C)c(NC(=O)C2CCCC2)c1C#N
InChIInChI=1S/C12H16N4O/c1-8-10(7-13)11(16(2)15-8)14-12(17)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,14,17)
InChIKeyWTUQMFHEENJLDM-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.73
Rot. Bonds2

About N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide

N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide (PubChem CID 1214840) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide
PubChem CID1214840
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide
SMILESCc1nn(C)c(NC(=O)C2CCCC2)c1C#N
InChIInChI=1S/C12H16N4O/c1-8-10(7-13)11(16(2)15-8)14-12(17)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,14,17)
InChIKeyWTUQMFHEENJLDM-UHFFFAOYSA-N
XLogP1.73
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide (CID 1214840) is N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide is Cc1nn(C)c(NC(=O)C2CCCC2)c1C#N.
What is the InChIKey of N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide?
The InChIKey is WTUQMFHEENJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-10(7-13)11(16(2)15-8)14-12(17)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide?
N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1,3-dimethylpyrazol-5-yl)cyclopentanecarboxamide is sourced from PubChem (CID 1214840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).