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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Related Compounds

2-[5-[(3-fluoro-3-methylcyclobutyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 130252192
2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 118126981
2-[5-[(3,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205226
2-[5-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 155486282
2-[5-[(3-chloro-4-fluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205241
2-[5-[(3-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205608
2-[5-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205315
2-[5-[[4-chloro-2-(2-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90205285
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid
CID 56874712
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
methyl 2-[5-[(3-fluorocyclohexa-1,3-dien-1-yl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 155486294

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).