(2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol

C22H29F2N3O4 — CID 133084129

IUPAC(2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CN1CCOCC1)Cn1ccc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)n1
InChIInChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1
InChIKeyFRVKKFLTBQINJK-QGZVFWFLSA-N
MW437.49 g/mol
LogP3.17
Rot. Bonds9

About (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 133084129) has the molecular formula C22H29F2N3O4 and a molecular weight of 437.49 g/mol. Its IUPAC name is (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID133084129
Molecular FormulaC22H29F2N3O4
Molecular Weight437.49 g/mol
Exact Mass437.21
IUPAC Name(2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@H](CN1CCOCC1)Cn1ccc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)n1
InChIInChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1
InChIKeyFRVKKFLTBQINJK-QGZVFWFLSA-N
XLogP3.17
TPSA68.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 133084129) is (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol is O[C@H](CN1CCOCC1)Cn1ccc(-c2ccc(OC(F)F)c(OC3CCCC3)c2)n1.
What is the InChIKey of (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is FRVKKFLTBQINJK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1.
What are the key properties of (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 437.49 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 133084129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).