(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol

C19H19F4N5O — CID 164718880

IUPAC(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1Cc1cn(CC2CC2)nn1
InChIInChI=1S/C19H19F4N5O/c1-11(29)16-6-13(20)4-5-17(16)28-15(8-18(25-28)19(21,22)23)7-14-10-27(26-24-14)9-12-2-3-12/h4-6,8,10-12,29H,2-3,7,9H2,1H3/t11-/m1/s1
InChIKeyYCQRYRAGPRENBO-LLVKDONJSA-N
MW409.39 g/mol
LogP3.68
Rot. Bonds6

About (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164718880) has the molecular formula C19H19F4N5O and a molecular weight of 409.39 g/mol. Its IUPAC name is (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164718880
Molecular FormulaC19H19F4N5O
Molecular Weight409.39 g/mol
Exact Mass409.15
IUPAC Name(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1Cc1cn(CC2CC2)nn1
InChIInChI=1S/C19H19F4N5O/c1-11(29)16-6-13(20)4-5-17(16)28-15(8-18(25-28)19(21,22)23)7-14-10-27(26-24-14)9-12-2-3-12/h4-6,8,10-12,29H,2-3,7,9H2,1H3/t11-/m1/s1
InChIKeyYCQRYRAGPRENBO-LLVKDONJSA-N
XLogP3.68
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164718880) is (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1-n1nc(C(F)(F)F)cc1Cc1cn(CC2CC2)nn1.
What is the InChIKey of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is YCQRYRAGPRENBO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19F4N5O/c1-11(29)16-6-13(20)4-5-17(16)28-15(8-18(25-28)19(21,22)23)7-14-10-27(26-24-14)9-12-2-3-12/h4-6,8,10-12,29H,2-3,7,9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 409.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164718880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).