(1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol

C18H22FN5O — CID 166560073

IUPAC(1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
SMILESCCc1cc(Cc2nn(C)nc2-c2ccc(F)cc2[C@@H](C)O)n(C)n1
InChIInChI=1S/C18H22FN5O/c1-5-13-9-14(23(3)20-13)10-17-18(22-24(4)21-17)15-7-6-12(19)8-16(15)11(2)25/h6-9,11,25H,5,10H2,1-4H3/t11-/m1/s1
InChIKeyMVIYFQKHVZXHJH-LLVKDONJSA-N
MW343.41 g/mol
LogP2.56
Rot. Bonds5

About (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol (PubChem CID 166560073) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
PubChem CID166560073
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name(1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol
SMILESCCc1cc(Cc2nn(C)nc2-c2ccc(F)cc2[C@@H](C)O)n(C)n1
InChIInChI=1S/C18H22FN5O/c1-5-13-9-14(23(3)20-13)10-17-18(22-24(4)21-17)15-7-6-12(19)8-16(15)11(2)25/h6-9,11,25H,5,10H2,1-4H3/t11-/m1/s1
InChIKeyMVIYFQKHVZXHJH-LLVKDONJSA-N
XLogP2.56
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.56
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-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol (CID 166560073) is (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol is CCc1cc(Cc2nn(C)nc2-c2ccc(F)cc2[C@@H](C)O)n(C)n1.
What is the InChIKey of (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol?
The InChIKey is MVIYFQKHVZXHJH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-5-13-9-14(23(3)20-13)10-17-18(22-24(4)21-17)15-7-6-12(19)8-16(15)11(2)25/h6-9,11,25H,5,10H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol has a molecular weight of 343.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 166560073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).