3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol

C18H16ClF3N2O2 — CID 57421255

IUPAC3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol
SMILESCOc1ccc(C(C)C(O)(c2cnn3ccccc23)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-11(13-7-6-12(26-2)9-15(13)19)17(25,18(20,21)22)14-10-23-24-8-4-3-5-16(14)24/h3-11,25H,1-2H3
InChIKeyWLZPNPKQWOLHJA-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.55
Rot. Bonds4

About 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol

3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol (PubChem CID 57421255) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol
PubChem CID57421255
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol
SMILESCOc1ccc(C(C)C(O)(c2cnn3ccccc23)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H16ClF3N2O2/c1-11(13-7-6-12(26-2)9-15(13)19)17(25,18(20,21)22)14-10-23-24-8-4-3-5-16(14)24/h3-11,25H,1-2H3
InChIKeyWLZPNPKQWOLHJA-UHFFFAOYSA-N
XLogP4.55
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol?
The IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol (CID 57421255) is 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol?
The canonical SMILES for 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol is COc1ccc(C(C)C(O)(c2cnn3ccccc23)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol?
The InChIKey is WLZPNPKQWOLHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-11(13-7-6-12(26-2)9-15(13)19)17(25,18(20,21)22)14-10-23-24-8-4-3-5-16(14)24/h3-11,25H,1-2H3.
What are the key properties of 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol?
3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol has a molecular weight of 384.79 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methoxyphenyl)-1,1,1-trifluoro-2-pyrazolo[1,5-a]pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 57421255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).