6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C16H14FN3O2 — CID 3237058

IUPAC6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccccc1F
InChIInChI=1S/C16H14FN3O2/c1-9-12(7-11-5-3-4-6-14(11)17)10(2)20-15(19-9)13(8-18-20)16(21)22/h3-6,8H,7H2,1-2H3,(H,21,22)
InChIKeyRZRCCDPNNDQDME-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.77
Rot. Bonds3

About 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 3237058) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID3237058
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccccc1F
InChIInChI=1S/C16H14FN3O2/c1-9-12(7-11-5-3-4-6-14(11)17)10(2)20-15(19-9)13(8-18-20)16(21)22/h3-6,8H,7H2,1-2H3,(H,21,22)
InChIKeyRZRCCDPNNDQDME-UHFFFAOYSA-N
XLogP2.77
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 3237058) is 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is RZRCCDPNNDQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9-12(7-11-5-3-4-6-14(11)17)10(2)20-15(19-9)13(8-18-20)16(21)22/h3-6,8H,7H2,1-2H3,(H,21,22).
What are the key properties of 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 3237058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).