5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C14H13FN4O2 — CID 42892105

IUPAC5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC(O)c3ccccc3F)cnc21
InChIInChI=1S/C14H13FN4O2/c1-18-13-10(6-17-18)14(21)19(8-16-13)7-12(20)9-4-2-3-5-11(9)15/h2-6,8,12,20H,7H2,1H3
InChIKeyCRNCOKSMBKSNFP-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.00
Rot. Bonds3

About 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 42892105) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID42892105
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC(O)c3ccccc3F)cnc21
InChIInChI=1S/C14H13FN4O2/c1-18-13-10(6-17-18)14(21)19(8-16-13)7-12(20)9-4-2-3-5-11(9)15/h2-6,8,12,20H,7H2,1H3
InChIKeyCRNCOKSMBKSNFP-UHFFFAOYSA-N
XLogP1.00
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-[(4-fluorophenyl)methylcarbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16748103
1-(2-Hydroxy-2-phenylethyl)-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylic acid
CID 16749343
Ethyl 5-[(3-fluorophenyl)methylcarbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749555
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(piperidine-1-carbonylamino)pyrazole-4-carboxylate
CID 16749340
Ethyl 5-[(2-fluorophenyl)methylcarbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749554
5-[(4-Fluorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7422937
1-(2-Hydroxyethyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-one
CID 7422944
5-[3-[Benzyl(methyl)amino]-2-hydroxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 53543205
5-cinnamyl-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 7422861
5-Amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxamide
CID 121003446
5-(2-fluorobenzyl)-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 7422946
5-[(3-Fluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 22423885

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 42892105) is 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CC(O)c3ccccc3F)cnc21.
What is the InChIKey of 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CRNCOKSMBKSNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-18-13-10(6-17-18)14(21)19(8-16-13)7-12(20)9-4-2-3-5-11(9)15/h2-6,8,12,20H,7H2,1H3.
What are the key properties of 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 288.28 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 42892105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).