4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid

C12H14N4O2 — CID 67481944

IUPAC4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid
SMILESC=Cc1cnn(C2CCN(C(=O)O)CC2)c1C#N
InChIInChI=1S/C12H14N4O2/c1-2-9-8-14-16(11(9)7-13)10-3-5-15(6-4-10)12(17)18/h2,8,10H,1,3-6H2,(H,17,18)
InChIKeyBSOKIEYXAHLSMS-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.71
Rot. Bonds2

About 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid

4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid (PubChem CID 67481944) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid
PubChem CID67481944
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid
SMILESC=Cc1cnn(C2CCN(C(=O)O)CC2)c1C#N
InChIInChI=1S/C12H14N4O2/c1-2-9-8-14-16(11(9)7-13)10-3-5-15(6-4-10)12(17)18/h2,8,10H,1,3-6H2,(H,17,18)
InChIKeyBSOKIEYXAHLSMS-UHFFFAOYSA-N
XLogP1.71
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid (CID 67481944) is 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid is C=Cc1cnn(C2CCN(C(=O)O)CC2)c1C#N.
What is the InChIKey of 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid?
The InChIKey is BSOKIEYXAHLSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-9-8-14-16(11(9)7-13)10-3-5-15(6-4-10)12(17)18/h2,8,10H,1,3-6H2,(H,17,18).
What are the key properties of 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid?
4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-4-ethenylpyrazol-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67481944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).