N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide

C12H16N4O — CID 107990454

IUPACN-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1cnn(C2CCNCC2)c1
InChIInChI=1S/C12H16N4O/c1-2-3-12(17)15-10-8-14-16(9-10)11-4-6-13-7-5-11/h8-9,11,13H,4-7H2,1H3,(H,15,17)
InChIKeyFVEQOLVZHVYUOT-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.77
Rot. Bonds2

About N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide

N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide (PubChem CID 107990454) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
PubChem CID107990454
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1cnn(C2CCNCC2)c1
InChIInChI=1S/C12H16N4O/c1-2-3-12(17)15-10-8-14-16(9-10)11-4-6-13-7-5-11/h8-9,11,13H,4-7H2,1H3,(H,15,17)
InChIKeyFVEQOLVZHVYUOT-UHFFFAOYSA-N
XLogP0.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpyrazol-4-yl)-2-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
CID 166211770
N-(1-piperidin-4-ylpyrazol-4-yl)-1-benzothiophene-5-carboxamide
CID 166211763
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 107520067
2-ethyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 154930924
N-(1-piperidin-4-ylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 166243214
N-[1-(azetidin-3-yl)pyrazol-4-yl]acetamide;hydrochloride
CID 142434812
2-ethenyl-1-methylidene-3-(1-piperidin-4-ylpyrazol-4-yl)guanidine
CID 166160032
N-cycloheptyl-1-piperidin-4-ylpyrazol-4-amine
CID 82932629
2-methyl-1-oxo-N-(1-piperidin-4-ylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 166298550
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
1-cyclopropyl-N-(1-piperidin-4-ylpyrazol-4-yl)methanesulfonamide
CID 64989081
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(1-piperidin-4-ylpyrazol-4-yl)acetamide
CID 166261390

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide?
The IUPAC name of N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide (CID 107990454) is N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide.
What is the SMILES notation for N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide?
The canonical SMILES for N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide is CC#CC(=O)Nc1cnn(C2CCNCC2)c1.
What is the InChIKey of N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide?
The InChIKey is FVEQOLVZHVYUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-3-12(17)15-10-8-14-16(9-10)11-4-6-13-7-5-11/h8-9,11,13H,4-7H2,1H3,(H,15,17).
What are the key properties of N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide?
N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide has a molecular weight of 232.29 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-4-ylpyrazol-4-yl)but-2-ynamide is sourced from PubChem (CID 107990454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).