[2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol

C20H21FN2O — CID 166752055

IUPAC[2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol
SMILESCC/C(F)=C\N1CCC(C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C20H21FN2O/c1-2-18(21)15-23-14-13-19(22-23)20(24,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,24H,2,13-14H2,1H3/b18-15+
InChIKeyOICMUSOCKPIDPC-OBGWFSINSA-N
MW324.40 g/mol
LogP4.21
Rot. Bonds5

About [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol

[2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol (PubChem CID 166752055) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol.

Molecular Properties

Compound Name[2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol
PubChem CID166752055
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name[2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol
SMILESCC/C(F)=C\N1CCC(C(O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C20H21FN2O/c1-2-18(21)15-23-14-13-19(22-23)20(24,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,24H,2,13-14H2,1H3/b18-15+
InChIKeyOICMUSOCKPIDPC-OBGWFSINSA-N
XLogP4.21
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol?
The IUPAC name of [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol (CID 166752055) is [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol.
What is the SMILES notation for [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol?
The canonical SMILES for [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol is CC/C(F)=C\N1CCC(C(O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol?
The InChIKey is OICMUSOCKPIDPC-OBGWFSINSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-2-18(21)15-23-14-13-19(22-23)20(24,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,24H,2,13-14H2,1H3/b18-15+.
What are the key properties of [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol?
[2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol has a molecular weight of 324.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-fluorobut-1-enyl]-3,4-dihydropyrazol-5-yl]-diphenylmethanol is sourced from PubChem (CID 166752055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).