N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide

C11H11ClN4O — CID 169465666

IUPACN-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnn2ccc(Cl)nc12
InChIInChI=1S/C11H11ClN4O/c1-8(17)13-5-2-3-9-7-14-16-6-4-10(12)15-11(9)16/h2-4,6-7H,5H2,1H3,(H,13,17)
InChIKeyQFXJEZXBFAJEGA-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.53
Rot. Bonds3

About N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide

N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide (PubChem CID 169465666) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide
PubChem CID169465666
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnn2ccc(Cl)nc12
InChIInChI=1S/C11H11ClN4O/c1-8(17)13-5-2-3-9-7-14-16-6-4-10(12)15-11(9)16/h2-4,6-7H,5H2,1H3,(H,13,17)
InChIKeyQFXJEZXBFAJEGA-UHFFFAOYSA-N
XLogP1.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide
CID 170798122
3-(3-acetamidoprop-1-enyl)-6-chloropyridine-2-carboxylic acid
CID 169465848
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
tert-butyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169467652
5-(3-acetamidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169465856
N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
CID 169466530
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]acetamide
CID 169465223
benzyl N-(3-pyrazolo[1,5-a]pyrimidin-3-ylprop-2-enyl)carbamate
CID 169471762
methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate
CID 171895831

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide (CID 169465666) is N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cnn2ccc(Cl)nc12.
What is the InChIKey of N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide?
The InChIKey is QFXJEZXBFAJEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-8(17)13-5-2-3-9-7-14-16-6-4-10(12)15-11(9)16/h2-4,6-7H,5H2,1H3,(H,13,17).
What are the key properties of N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide?
N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide has a molecular weight of 250.69 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).