4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide

C10H9ClN4O — CID 170798122

IUPAC4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide
SMILESNC(=O)CC=Cc1cnn2ccc(Cl)nc12
InChIInChI=1S/C10H9ClN4O/c11-8-4-5-15-10(14-8)7(6-13-15)2-1-3-9(12)16/h1-2,4-6H,3H2,(H2,12,16)
InChIKeyDAYTWIJTXXFKPG-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.27
Rot. Bonds3

About 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide

4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide (PubChem CID 170798122) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide.

Molecular Properties

Compound Name4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide
PubChem CID170798122
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide
SMILESNC(=O)CC=Cc1cnn2ccc(Cl)nc12
InChIInChI=1S/C10H9ClN4O/c11-8-4-5-15-10(14-8)7(6-13-15)2-1-3-9(12)16/h1-2,4-6H,3H2,(H2,12,16)
InChIKeyDAYTWIJTXXFKPG-UHFFFAOYSA-N
XLogP1.27
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide?
The IUPAC name of 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide (CID 170798122) is 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide.
What is the SMILES notation for 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide?
The canonical SMILES for 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide is NC(=O)CC=Cc1cnn2ccc(Cl)nc12.
What is the InChIKey of 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide?
The InChIKey is DAYTWIJTXXFKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-8-4-5-15-10(14-8)7(6-13-15)2-1-3-9(12)16/h1-2,4-6H,3H2,(H2,12,16).
What are the key properties of 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide?
4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide has a molecular weight of 236.66 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide is sourced from PubChem (CID 170798122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).