4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol

C23H24F3N3O3 — CID 145464533

IUPAC4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol
SMILESCOc1ccc(-c2c(C(F)(F)F)c(C3(O)CCNCC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24F3N3O3/c1-31-17-7-3-15(4-8-17)20-19(23(24,25)26)21(22(30)11-13-27-14-12-22)28-29(20)16-5-9-18(32-2)10-6-16/h3-10,27,30H,11-14H2,1-2H3
InChIKeyWOYVMJQCFWLPKT-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.15
Rot. Bonds5

About 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol

4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol (PubChem CID 145464533) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol
PubChem CID145464533
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol
SMILESCOc1ccc(-c2c(C(F)(F)F)c(C3(O)CCNCC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24F3N3O3/c1-31-17-7-3-15(4-8-17)20-19(23(24,25)26)21(22(30)11-13-27-14-12-22)28-29(20)16-5-9-18(32-2)10-6-16/h3-10,27,30H,11-14H2,1-2H3
InChIKeyWOYVMJQCFWLPKT-UHFFFAOYSA-N
XLogP4.15
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol?
The IUPAC name of 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol (CID 145464533) is 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol.
What is the SMILES notation for 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol?
The canonical SMILES for 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol is COc1ccc(-c2c(C(F)(F)F)c(C3(O)CCNCC3)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol?
The InChIKey is WOYVMJQCFWLPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-31-17-7-3-15(4-8-17)20-19(23(24,25)26)21(22(30)11-13-27-14-12-22)28-29(20)16-5-9-18(32-2)10-6-16/h3-10,27,30H,11-14H2,1-2H3.
What are the key properties of 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol?
4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol has a molecular weight of 447.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol is sourced from PubChem (CID 145464533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).