7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C19H17F2N3O2 — CID 15958147

IUPAC7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)c(F)c3)cnc12
InChIInChI=1S/C19H17F2N3O2/c20-15-7-6-12(8-16(15)21)13-9-22-18-14(19(25)26)10-23-24(18)17(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,25,26)
InChIKeyNJSDZCVHHFFBEM-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.42
Rot. Bonds3

About 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958147) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958147
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)c(F)c3)cnc12
InChIInChI=1S/C19H17F2N3O2/c20-15-7-6-12(8-16(15)21)13-9-22-18-14(19(25)26)10-23-24(18)17(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,25,26)
InChIKeyNJSDZCVHHFFBEM-UHFFFAOYSA-N
XLogP4.42
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958147) is 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)c(F)c3)cnc12.
What is the InChIKey of 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is NJSDZCVHHFFBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-15-7-6-12(8-16(15)21)13-9-22-18-14(19(25)26)10-23-24(18)17(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,25,26).
What are the key properties of 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 357.36 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).