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

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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).