5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine

C21H20F2N6 — CID 170223234

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)c1
InChIInChI=1S/C21H20F2N6/c1-2-14-11-24-29(13-14)19-12-25-28-9-7-20(26-21(19)28)27-8-3-4-18(27)16-10-15(22)5-6-17(16)23/h5-7,9-13,18H,2-4,8H2,1H3
InChIKeyPLPWKGYLKFTDMX-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.10
Rot. Bonds4

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 170223234) has the molecular formula C21H20F2N6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID170223234
Molecular FormulaC21H20F2N6
Molecular Weight394.43 g/mol
Exact Mass394.17
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cnn(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)c1
InChIInChI=1S/C21H20F2N6/c1-2-14-11-24-29(13-14)19-12-25-28-9-7-20(26-21(19)28)27-8-3-4-18(27)16-10-15(22)5-6-17(16)23/h5-7,9-13,18H,2-4,8H2,1H3
InChIKeyPLPWKGYLKFTDMX-UHFFFAOYSA-N
XLogP4.10
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
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]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine (CID 170223234) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine is CCc1cnn(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)c1.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PLPWKGYLKFTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6/c1-2-14-11-24-29(13-14)19-12-25-28-9-7-20(26-21(19)28)27-8-3-4-18(27)16-10-15(22)5-6-17(16)23/h5-7,9-13,18H,2-4,8H2,1H3.
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 394.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 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]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170223234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).