3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol

C14H16F2N2O2 — CID 175133057

IUPAC3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol
SMILESOC(Cn1cccn1)C(F)(F)COCc1ccccc1
InChIInChI=1S/C14H16F2N2O2/c15-14(16,13(19)9-18-8-4-7-17-18)11-20-10-12-5-2-1-3-6-12/h1-8,13,19H,9-11H2
InChIKeyZTDLCRIAFVKTOI-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.10
Rot. Bonds7

About 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol

3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol (PubChem CID 175133057) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol
PubChem CID175133057
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol
SMILESOC(Cn1cccn1)C(F)(F)COCc1ccccc1
InChIInChI=1S/C14H16F2N2O2/c15-14(16,13(19)9-18-8-4-7-17-18)11-20-10-12-5-2-1-3-6-12/h1-8,13,19H,9-11H2
InChIKeyZTDLCRIAFVKTOI-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-fluoro-3-methyl-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-amine
CID 135182123
1-(phenylmethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 64974574
(2S)-1,1,1-trifluoro-3-pyrazol-1-ylpropan-2-ol
CID 124508863
(2S)-2-benzyl-3-pyrazol-1-ylpropanoic acid
CID 70046251
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
1-(11-phenylmethoxyundecyl)pyrazole
CID 171475049
2-(3,3-difluoro-4-phenylmethoxybutyl)triazole
CID 146967401
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol?
The IUPAC name of 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol (CID 175133057) is 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol is OC(Cn1cccn1)C(F)(F)COCc1ccccc1.
What is the InChIKey of 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol?
The InChIKey is ZTDLCRIAFVKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-14(16,13(19)9-18-8-4-7-17-18)11-20-10-12-5-2-1-3-6-12/h1-8,13,19H,9-11H2.
What are the key properties of 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol?
3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol has a molecular weight of 282.29 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-phenylmethoxy-1-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 175133057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).