2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

C14H12F2N4O — CID 86725543

IUPAC2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2nccc2OCC2CC(F)(F)C2)c1
InChIInChI=1S/C14H12F2N4O/c15-14(16)6-11(7-14)9-21-13-2-4-19-20(13)12-5-10(8-17)1-3-18-12/h1-5,11H,6-7,9H2
InChIKeyBYIOYFQFXCDAGM-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.56
Rot. Bonds4

About 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 86725543) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID86725543
Molecular FormulaC14H12F2N4O
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2nccc2OCC2CC(F)(F)C2)c1
InChIInChI=1S/C14H12F2N4O/c15-14(16)6-11(7-14)9-21-13-2-4-19-20(13)12-5-10(8-17)1-3-18-12/h1-5,11H,6-7,9H2
InChIKeyBYIOYFQFXCDAGM-UHFFFAOYSA-N
XLogP2.56
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (CID 86725543) is 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-n2nccc2OCC2CC(F)(F)C2)c1.
What is the InChIKey of 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is BYIOYFQFXCDAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O/c15-14(16)6-11(7-14)9-21-13-2-4-19-20(13)12-5-10(8-17)1-3-18-12/h1-5,11H,6-7,9H2.
What are the key properties of 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 290.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,3-difluorocyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 86725543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).