5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F2N5O2 — CID 67501275

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIInChI=1S/C19H19F2N5O2/c20-12-3-4-15(21)13(10-12)16-2-1-7-25(16)17-5-8-26-18(24-17)14(11-23-26)19(28)22-6-9-27/h3-5,8,10-11,16,27H,1-2,6-7,9H2,(H,22,28)
InChIKeyXCBGRHHBQFJBBF-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.07
Rot. Bonds5

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501275) 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]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501275
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCO)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIInChI=1S/C19H19F2N5O2/c20-12-3-4-15(21)13(10-12)16-2-1-7-25(16)17-5-8-26-18(24-17)14(11-23-26)19(28)22-6-9-27/h3-5,8,10-11,16,27H,1-2,6-7,9H2,(H,22,28)
InChIKeyXCBGRHHBQFJBBF-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501275) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCO)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XCBGRHHBQFJBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c20-12-3-4-15(21)13(10-12)16-2-1-7-25(16)17-5-8-26-18(24-17)14(11-23-26)19(28)22-6-9-27/h3-5,8,10-11,16,27H,1-2,6-7,9H2,(H,22,28).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.07, 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]-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).