2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C20H21F3N4O3 — CID 56531981

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C20H21F3N4O3/c1-4-7-30-16-6-5-13(20(21,22)23)8-15(16)25-18(28)9-14-11(2)24-17-10-19(29)26-27(17)12(14)3/h5-6,8,10H,4,7,9H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBRQYSQSXBDCFJY-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.63
Rot. Bonds6

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 56531981) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID56531981
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C20H21F3N4O3/c1-4-7-30-16-6-5-13(20(21,22)23)8-15(16)25-18(28)9-14-11(2)24-17-10-19(29)26-27(17)12(14)3/h5-6,8,10H,4,7,9H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBRQYSQSXBDCFJY-UHFFFAOYSA-N
XLogP3.63
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide
CID 56546656
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47073756
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 9116070
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 56531916
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 56531892
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-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 56549830
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 56531612

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 56531981) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BRQYSQSXBDCFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-4-7-30-16-6-5-13(20(21,22)23)8-15(16)25-18(28)9-14-11(2)24-17-10-19(29)26-27(17)12(14)3/h5-6,8,10H,4,7,9H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 422.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 56531981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).