5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C19H19F2N5O2 — CID 139449700

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCNc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1C(=O)O
InChIInChI=1S/C19H19F2N5O2/c1-2-22-17-16(19(27)28)18-23-15(7-9-26(18)24-17)25-8-3-4-14(25)12-10-11(20)5-6-13(12)21/h5-7,9-10,14H,2-4,8H2,1H3,(H,22,24)(H,27,28)
InChIKeyXNZDFKHESMNRNK-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.48
Rot. Bonds5

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 139449700) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID139449700
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCNc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1C(=O)O
InChIInChI=1S/C19H19F2N5O2/c1-2-22-17-16(19(27)28)18-23-15(7-9-26(18)24-17)25-8-3-4-14(25)12-10-11(20)5-6-13(12)21/h5-7,9-10,14H,2-4,8H2,1H3,(H,22,24)(H,27,28)
InChIKeyXNZDFKHESMNRNK-UHFFFAOYSA-N
XLogP3.48
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 139449700) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCNc1nn2ccc(N3CCCC3c3cc(F)ccc3F)nc2c1C(=O)O.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is XNZDFKHESMNRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-2-22-17-16(19(27)28)18-23-15(7-9-26(18)24-17)25-8-3-4-14(25)12-10-11(20)5-6-13(12)21/h5-7,9-10,14H,2-4,8H2,1H3,(H,22,24)(H,27,28).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 387.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-(ethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 139449700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).