7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H14F2N4O — CID 167893802

IUPAC7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(OCC3CCC(F)(F)CC3)ccnc12
InChIInChI=1S/C14H14F2N4O/c15-14(16)4-1-10(2-5-14)9-21-12-3-6-18-13-11(7-17)8-19-20(12)13/h3,6,8,10H,1-2,4-5,9H2
InChIKeyGITDFQKVZGWNLI-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.81
Rot. Bonds3

About 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 167893802) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID167893802
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(OCC3CCC(F)(F)CC3)ccnc12
InChIInChI=1S/C14H14F2N4O/c15-14(16)4-1-10(2-5-14)9-21-12-3-6-18-13-11(7-17)8-19-20(12)13/h3,6,8,10H,1-2,4-5,9H2
InChIKeyGITDFQKVZGWNLI-UHFFFAOYSA-N
XLogP2.81
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 167893802) is 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(OCC3CCC(F)(F)CC3)ccnc12.
What is the InChIKey of 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is GITDFQKVZGWNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c15-14(16)4-1-10(2-5-14)9-21-12-3-6-18-13-11(7-17)8-19-20(12)13/h3,6,8,10H,1-2,4-5,9H2.
What are the key properties of 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 292.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,4-difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 167893802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).