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

C18H21FN4O2 — CID 164719555

IUPAC(1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2cc(OC)nn2-c2ccc(F)cc2[C@@H](C)O)cn1
InChIInChI=1S/C18H21FN4O2/c1-4-22-11-13(10-20-22)7-15-9-18(25-3)21-23(15)17-6-5-14(19)8-16(17)12(2)24/h5-6,8-12,24H,4,7H2,1-3H3/t12-/m1/s1
InChIKeyNHRBAJFBBZGFLN-GFCCVEGCSA-N
MW344.39 g/mol
LogP2.88
Rot. Bonds6

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

(1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164719555) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164719555
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCCn1cc(Cc2cc(OC)nn2-c2ccc(F)cc2[C@@H](C)O)cn1
InChIInChI=1S/C18H21FN4O2/c1-4-22-11-13(10-20-22)7-15-9-18(25-3)21-23(15)17-6-5-14(19)8-16(17)12(2)24/h5-6,8-12,24H,4,7H2,1-3H3/t12-/m1/s1
InChIKeyNHRBAJFBBZGFLN-GFCCVEGCSA-N
XLogP2.88
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.88
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-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164719555) is (1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol is CCn1cc(Cc2cc(OC)nn2-c2ccc(F)cc2[C@@H](C)O)cn1.
What is the InChIKey of (1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is NHRBAJFBBZGFLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-4-22-11-13(10-20-22)7-15-9-18(25-3)21-23(15)17-6-5-14(19)8-16(17)12(2)24/h5-6,8-12,24H,4,7H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[(1-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 344.39 g/mol, XLogP of 2.88, 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-ethylpyrazol-4-yl)methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).