1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol

C20H21FN2O2 — CID 59281394

IUPAC1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCc1cc(-c2ccc(F)cc2)n(CC(O)COCc2ccccc2)n1
InChIInChI=1S/C20H21FN2O2/c1-15-11-20(17-7-9-18(21)10-8-17)23(22-15)12-19(24)14-25-13-16-5-3-2-4-6-16/h2-11,19,24H,12-14H2,1H3
InChIKeyAOIDNKATMQNXCE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.58
Rot. Bonds7

About 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol

1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 59281394) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID59281394
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCc1cc(-c2ccc(F)cc2)n(CC(O)COCc2ccccc2)n1
InChIInChI=1S/C20H21FN2O2/c1-15-11-20(17-7-9-18(21)10-8-17)23(22-15)12-19(24)14-25-13-16-5-3-2-4-6-16/h2-11,19,24H,12-14H2,1H3
InChIKeyAOIDNKATMQNXCE-UHFFFAOYSA-N
XLogP3.58
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol (CID 59281394) is 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol is Cc1cc(-c2ccc(F)cc2)n(CC(O)COCc2ccccc2)n1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is AOIDNKATMQNXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-15-11-20(17-7-9-18(21)10-8-17)23(22-15)12-19(24)14-25-13-16-5-3-2-4-6-16/h2-11,19,24H,12-14H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol?
1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 340.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 59281394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).