3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C16H15F2N5O2 — CID 172615330

IUPAC3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESN#Cc1c(C2CCCO2)nn2c(C(=O)NC3CC(F)(F)C3)ccnc12
InChIInChI=1S/C16H15F2N5O2/c17-16(18)6-9(7-16)21-15(24)11-3-4-20-14-10(8-19)13(22-23(11)14)12-2-1-5-25-12/h3-4,9,12H,1-2,5-7H2,(H,21,24)
InChIKeyOMCFORUYKBFTSW-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.98
Rot. Bonds3

About 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 172615330) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID172615330
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESN#Cc1c(C2CCCO2)nn2c(C(=O)NC3CC(F)(F)C3)ccnc12
InChIInChI=1S/C16H15F2N5O2/c17-16(18)6-9(7-16)21-15(24)11-3-4-20-14-10(8-19)13(22-23(11)14)12-2-1-5-25-12/h3-4,9,12H,1-2,5-7H2,(H,21,24)
InChIKeyOMCFORUYKBFTSW-UHFFFAOYSA-N
XLogP1.98
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 172615330) is 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is N#Cc1c(C2CCCO2)nn2c(C(=O)NC3CC(F)(F)C3)ccnc12.
What is the InChIKey of 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is OMCFORUYKBFTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c17-16(18)6-9(7-16)21-15(24)11-3-4-20-14-10(8-19)13(22-23(11)14)12-2-1-5-25-12/h3-4,9,12H,1-2,5-7H2,(H,21,24).
What are the key properties of 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 172615330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).