N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C20H23ClN4O3 — CID 56531916

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(OCC(C)C)c(Cl)c1
InChIInChI=1S/C20H23ClN4O3/c1-11(2)10-28-17-6-5-14(7-16(17)21)23-19(26)8-15-12(3)22-18-9-20(27)24-25(18)13(15)4/h5-7,9,11H,8,10H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyJGKXAULRBXKCOZ-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.51
Rot. Bonds6

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 56531916) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID56531916
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(OCC(C)C)c(Cl)c1
InChIInChI=1S/C20H23ClN4O3/c1-11(2)10-28-17-6-5-14(7-16(17)21)23-19(26)8-15-12(3)22-18-9-20(27)24-25(18)13(15)4/h5-7,9,11H,8,10H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyJGKXAULRBXKCOZ-UHFFFAOYSA-N
XLogP3.51
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56531855
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 56549830
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 56531921
(4-chloro-2-methylphenyl) 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 56531627
dimethyl 5-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 56531596
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 56531892
N-(4-cyclopentylsulfanylphenyl)-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56540542
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 56531857
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide
CID 56546656
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447418
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56531802
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]acetamide
CID 56545162

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 56531916) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(OCC(C)C)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is JGKXAULRBXKCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-11(2)10-28-17-6-5-14(7-16(17)21)23-19(26)8-15-12(3)22-18-9-20(27)24-25(18)13(15)4/h5-7,9,11H,8,10H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 402.88 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 56531916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).