5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol

C21H21F2N3O3 — CID 118430473

IUPAC5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1O
InChIInChI=1S/C21H21F2N3O3/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)26(25-21)20-17(27)9-14(10-24-20)13-7-8-13/h4-6,9-11,13,27H,7-8H2,1-3H3
InChIKeyGNTCOOLDKOUZCG-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.02
Rot. Bonds6

About 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol

5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol (PubChem CID 118430473) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol
PubChem CID118430473
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC Name5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol
SMILESCc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1O
InChIInChI=1S/C21H21F2N3O3/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)26(25-21)20-17(27)9-14(10-24-20)13-7-8-13/h4-6,9-11,13,27H,7-8H2,1-3H3
InChIKeyGNTCOOLDKOUZCG-UHFFFAOYSA-N
XLogP5.02
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol with MolForge

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Related Compounds

Dhodh-IN-1
CID 118430456
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-5-ethylpyrimidine
CID 118430570
1-[4-[[4-[1-Cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-2,2,2-trifluoroethanol
CID 162618104
2,2,2-trifluoro-1-(4-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)-1-methyl-1H-pyrazol-3-yl)ethanol
CID 76283511
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
2-{[3,5-dimethyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]oxy}phenol
CID 2999618
Ipp/cnrs-A019
CID 118430525
2-[3,5-Dimethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]oxyphenol
CID 4465636
2-[6-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol
CID 118430402
5-Cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
CID 118430405
2-Cyclopropyl-5-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
CID 118430411
2-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-3-fluoro-5-propylpyridine
CID 118430417

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol?
The IUPAC name of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol (CID 118430473) is 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol.
What is the SMILES notation for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol?
The canonical SMILES for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol is Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1O.
What is the InChIKey of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol?
The InChIKey is GNTCOOLDKOUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)26(25-21)20-17(27)9-14(10-24-20)13-7-8-13/h4-6,9-11,13,27H,7-8H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol?
5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol has a molecular weight of 401.41 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridin-3-ol is sourced from PubChem (CID 118430473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).