1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol

C25H25FN4O2 — CID 69361406

IUPAC1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1noc(C)c1-c1c(CN2CCC(O)C2)cnn1-c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H25FN4O2/c1-16-24(17(2)32-28-16)25-20(14-29-12-11-23(31)15-29)13-27-30(25)22-9-5-19(6-10-22)18-3-7-21(26)8-4-18/h3-10,13,23,31H,11-12,14-15H2,1-2H3
InChIKeyOWKCTJYAKIIUKJ-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.52
Rot. Bonds5

About 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol

1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol (PubChem CID 69361406) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
PubChem CID69361406
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol
SMILESCc1noc(C)c1-c1c(CN2CCC(O)C2)cnn1-c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H25FN4O2/c1-16-24(17(2)32-28-16)25-20(14-29-12-11-23(31)15-29)13-27-30(25)22-9-5-19(6-10-22)18-3-7-21(26)8-4-18/h3-10,13,23,31H,11-12,14-15H2,1-2H3
InChIKeyOWKCTJYAKIIUKJ-UHFFFAOYSA-N
XLogP4.52
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol (CID 69361406) is 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol is Cc1noc(C)c1-c1c(CN2CCC(O)C2)cnn1-c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
The InChIKey is OWKCTJYAKIIUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-16-24(17(2)32-28-16)25-20(14-29-12-11-23(31)15-29)13-27-30(25)22-9-5-19(6-10-22)18-3-7-21(26)8-4-18/h3-10,13,23,31H,11-12,14-15H2,1-2H3.
What are the key properties of 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol?
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol has a molecular weight of 432.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-fluorophenyl)phenyl]pyrazol-4-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 69361406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).