N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C17H17FN4O3 — CID 111102305

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O3/c1-10-13(17(25)22-15(21-10)6-7-20-22)8-16(24)19-9-14(23)11-2-4-12(18)5-3-11/h2-7,14,20,23H,8-9H2,1H3,(H,19,24)
InChIKeyCQAVQDAWZTZOLD-UHFFFAOYSA-N
MW344.35 g/mol
LogP0.86
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 111102305) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID111102305
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O3/c1-10-13(17(25)22-15(21-10)6-7-20-22)8-16(24)19-9-14(23)11-2-4-12(18)5-3-11/h2-7,14,20,23H,8-9H2,1H3,(H,19,24)
InChIKeyCQAVQDAWZTZOLD-UHFFFAOYSA-N
XLogP0.86
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 111102305) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2cc[nH]n2c(=O)c1CC(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is CQAVQDAWZTZOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-10-13(17(25)22-15(21-10)6-7-20-22)8-16(24)19-9-14(23)11-2-4-12(18)5-3-11/h2-7,14,20,23H,8-9H2,1H3,(H,19,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 344.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 111102305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).