5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H16FN5O — CID 98139289

IUPAC5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(Cc3cn(C)nc3-c3ccc(F)cc3)cc(=O)n2[nH]1
InChIInChI=1S/C18H16FN5O/c1-11-7-16-20-15(9-17(25)24(16)21-11)8-13-10-23(2)22-18(13)12-3-5-14(19)6-4-12/h3-7,9-10,21H,8H2,1-2H3
InChIKeyIVJWKTYAAAISJD-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.46
Rot. Bonds3

About 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98139289) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98139289
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(Cc3cn(C)nc3-c3ccc(F)cc3)cc(=O)n2[nH]1
InChIInChI=1S/C18H16FN5O/c1-11-7-16-20-15(9-17(25)24(16)21-11)8-13-10-23(2)22-18(13)12-3-5-14(19)6-4-12/h3-7,9-10,21H,8H2,1-2H3
InChIKeyIVJWKTYAAAISJD-UHFFFAOYSA-N
XLogP2.46
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98139289) is 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(Cc3cn(C)nc3-c3ccc(F)cc3)cc(=O)n2[nH]1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IVJWKTYAAAISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-11-7-16-20-15(9-17(25)24(16)21-11)8-13-10-23(2)22-18(13)12-3-5-14(19)6-4-12/h3-7,9-10,21H,8H2,1-2H3.
What are the key properties of 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 337.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98139289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).