2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C16H17F2N3O3 — CID 90205567

IUPAC2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCC2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H17F2N3O3/c17-16(18)5-1-11(2-6-16)10-24-14-4-8-20-21(14)13-9-12(15(22)23)3-7-19-13/h3-4,7-9,11H,1-2,5-6,10H2,(H,22,23)
InChIKeyMBWGIVXATSPGAT-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.17
Rot. Bonds5

About 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90205567) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90205567
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCC2CCC(F)(F)CC2)c1
InChIInChI=1S/C16H17F2N3O3/c17-16(18)5-1-11(2-6-16)10-24-14-4-8-20-21(14)13-9-12(15(22)23)3-7-19-13/h3-4,7-9,11H,1-2,5-6,10H2,(H,22,23)
InChIKeyMBWGIVXATSPGAT-UHFFFAOYSA-N
XLogP3.17
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90205567) is 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2OCC2CCC(F)(F)CC2)c1.
What is the InChIKey of 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is MBWGIVXATSPGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c17-16(18)5-1-11(2-6-16)10-24-14-4-8-20-21(14)13-9-12(15(22)23)3-7-19-13/h3-4,7-9,11H,1-2,5-6,10H2,(H,22,23).
What are the key properties of 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4,4-difluorocyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90205567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).