[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone

C18H16F2N4OS — CID 655220

IUPAC[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCSCC1
InChIInChI=1S/C18H16F2N4OS/c19-16(20)15-10-14(12-4-2-1-3-5-12)22-17-13(11-21-24(15)17)18(25)23-6-8-26-9-7-23/h1-5,10-11,16H,6-9H2
InChIKeySQXUMPJPLQHUGH-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.52
Rot. Bonds3

About [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone

[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 655220) has the molecular formula C18H16F2N4OS and a molecular weight of 374.42 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID655220
Molecular FormulaC18H16F2N4OS
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCSCC1
InChIInChI=1S/C18H16F2N4OS/c19-16(20)15-10-14(12-4-2-1-3-5-12)22-17-13(11-21-24(15)17)18(25)23-6-8-26-9-7-23/h1-5,10-11,16H,6-9H2
InChIKeySQXUMPJPLQHUGH-UHFFFAOYSA-N
XLogP3.52
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone (CID 655220) is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone is O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCSCC1.
What is the InChIKey of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is SQXUMPJPLQHUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4OS/c19-16(20)15-10-14(12-4-2-1-3-5-12)22-17-13(11-21-24(15)17)18(25)23-6-8-26-9-7-23/h1-5,10-11,16H,6-9H2.
What are the key properties of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone?
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 374.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 655220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).