3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide

C14H21N5O — CID 118795677

IUPAC3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)N1CCCC(C#N)C1
InChIInChI=1S/C14H21N5O/c1-3-6-19-13(8-11(2)17-19)16-14(20)18-7-4-5-12(9-15)10-18/h8,12H,3-7,10H2,1-2H3,(H,16,20)
InChIKeyZCNQGHAIWOWFOJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.37
Rot. Bonds3

About 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide

3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 118795677) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID118795677
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)N1CCCC(C#N)C1
InChIInChI=1S/C14H21N5O/c1-3-6-19-13(8-11(2)17-19)16-14(20)18-7-4-5-12(9-15)10-18/h8,12H,3-7,10H2,1-2H3,(H,16,20)
InChIKeyZCNQGHAIWOWFOJ-UHFFFAOYSA-N
XLogP2.37
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide (CID 118795677) is 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide is CCCn1nc(C)cc1NC(=O)N1CCCC(C#N)C1.
What is the InChIKey of 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is ZCNQGHAIWOWFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-6-19-13(8-11(2)17-19)16-14(20)18-7-4-5-12(9-15)10-18/h8,12H,3-7,10H2,1-2H3,(H,16,20).
What are the key properties of 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide?
3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-methyl-2-propylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118795677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).