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

C19H22FN5O2 — CID 164719577

IUPAC(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCOc1cc(Cc2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)O)n1
InChIInChI=1S/C19H22FN5O2/c1-12(26)17-7-14(20)5-6-18(17)25-16(9-19(22-25)27-2)8-15-11-24(23-21-15)10-13-3-4-13/h5-7,9,11-13,26H,3-4,8,10H2,1-2H3/t12-/m1/s1
InChIKeyPSVQYDJPUSZUSF-GFCCVEGCSA-N
MW371.42 g/mol
LogP2.67
Rot. Bonds7

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

(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164719577) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164719577
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCOc1cc(Cc2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)O)n1
InChIInChI=1S/C19H22FN5O2/c1-12(26)17-7-14(20)5-6-18(17)25-16(9-19(22-25)27-2)8-15-11-24(23-21-15)10-13-3-4-13/h5-7,9,11-13,26H,3-4,8,10H2,1-2H3/t12-/m1/s1
InChIKeyPSVQYDJPUSZUSF-GFCCVEGCSA-N
XLogP2.67
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164719577) is (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol is COc1cc(Cc2cn(CC3CC3)nn2)n(-c2ccc(F)cc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is PSVQYDJPUSZUSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-12(26)17-7-14(20)5-6-18(17)25-16(9-19(22-25)27-2)8-15-11-24(23-21-15)10-13-3-4-13/h5-7,9,11-13,26H,3-4,8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 371.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).