3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C17H16ClN3O2 — CID 137481079

IUPAC3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCc1cc(C(=O)O)nc2c(-c3ccccc3Cl)c(C)nn12
InChIInChI=1S/C17H16ClN3O2/c1-3-6-11-9-14(17(22)23)19-16-15(10(2)20-21(11)16)12-7-4-5-8-13(12)18/h4-5,7-9H,3,6H2,1-2H3,(H,22,23)
InChIKeyUMXOPQTYNQYCQE-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.01
Rot. Bonds4

About 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481079) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481079
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCc1cc(C(=O)O)nc2c(-c3ccccc3Cl)c(C)nn12
InChIInChI=1S/C17H16ClN3O2/c1-3-6-11-9-14(17(22)23)19-16-15(10(2)20-21(11)16)12-7-4-5-8-13(12)18/h4-5,7-9H,3,6H2,1-2H3,(H,22,23)
InChIKeyUMXOPQTYNQYCQE-UHFFFAOYSA-N
XLogP4.01
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481079) is 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCCc1cc(C(=O)O)nc2c(-c3ccccc3Cl)c(C)nn12.
What is the InChIKey of 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is UMXOPQTYNQYCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-3-6-11-9-14(17(22)23)19-16-15(10(2)20-21(11)16)12-7-4-5-8-13(12)18/h4-5,7-9H,3,6H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 329.79 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).