3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile

C16H17FN4O — CID 167879327

IUPAC3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)ccc1OCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H17FN4O/c17-16-7-6-15(14(10-18)19-16)22-11-12-8-9-21(20-12)13-4-2-1-3-5-13/h6-9,13H,1-5,11H2
InChIKeyWBCRLXHPPWXKSC-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.37
Rot. Bonds4

About 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile

3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile (PubChem CID 167879327) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
PubChem CID167879327
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)ccc1OCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H17FN4O/c17-16-7-6-15(14(10-18)19-16)22-11-12-8-9-21(20-12)13-4-2-1-3-5-13/h6-9,13H,1-5,11H2
InChIKeyWBCRLXHPPWXKSC-UHFFFAOYSA-N
XLogP3.37
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile?
The IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile (CID 167879327) is 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile?
The canonical SMILES for 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile is N#Cc1nc(F)ccc1OCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile?
The InChIKey is WBCRLXHPPWXKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-16-7-6-15(14(10-18)19-16)22-11-12-8-9-21(20-12)13-4-2-1-3-5-13/h6-9,13H,1-5,11H2.
What are the key properties of 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile?
3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile has a molecular weight of 300.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexylpyrazol-3-yl)methoxy]-6-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 167879327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).