2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C19H16FN5O2 — CID 7174559

IUPAC2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)O)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C19H16FN5O2/c1-10-18(11(2)24(3)22-10)15-8-16(19(26)27)25-17(21-15)9-14(23-25)12-4-6-13(20)7-5-12/h4-9H,1-3H3,(H,26,27)
InChIKeyUGZDTULLKBIXPG-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.25
Rot. Bonds3

About 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 7174559) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID7174559
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)O)n2nc(-c3ccc(F)cc3)cc2n1
InChIInChI=1S/C19H16FN5O2/c1-10-18(11(2)24(3)22-10)15-8-16(19(26)27)25-17(21-15)9-14(23-25)12-4-6-13(20)7-5-12/h4-9H,1-3H3,(H,26,27)
InChIKeyUGZDTULLKBIXPG-UHFFFAOYSA-N
XLogP3.25
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 7174559) is 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1nn(C)c(C)c1-c1cc(C(=O)O)n2nc(-c3ccc(F)cc3)cc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is UGZDTULLKBIXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-10-18(11(2)24(3)22-10)15-8-16(19(26)27)25-17(21-15)9-14(23-25)12-4-6-13(20)7-5-12/h4-9H,1-3H3,(H,26,27).
What are the key properties of 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 365.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 7174559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).