2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol

C16H12F2N2O2 — CID 166473874

IUPAC2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2-c2ccc(O)c(F)c2F)cc1
InChIInChI=1S/C16H12F2N2O2/c1-22-10-4-2-9(3-5-10)16-12(8-19-20-16)11-6-7-13(21)15(18)14(11)17/h2-8,21H,1H3,(H,19,20)
InChIKeyYDCBYKRTRUKQAP-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.74
Rot. Bonds3

About 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol

2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol (PubChem CID 166473874) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol.

Molecular Properties

Compound Name2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
PubChem CID166473874
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol
SMILESCOc1ccc(-c2[nH]ncc2-c2ccc(O)c(F)c2F)cc1
InChIInChI=1S/C16H12F2N2O2/c1-22-10-4-2-9(3-5-10)16-12(8-19-20-16)11-6-7-13(21)15(18)14(11)17/h2-8,21H,1H3,(H,19,20)
InChIKeyYDCBYKRTRUKQAP-UHFFFAOYSA-N
XLogP3.74
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537
3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one
CID 146026429
5-[(2-chloro-6-fluorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135652165
[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 105423037
6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-4-(4-methoxyphenyl)quinazoline;molecular hydrogen;dihydrochloride
CID 160703255
5-[(2,4-dichlorophenyl)methoxy]-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 135651228
2-[4-hydroxy-3-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]phenoxy]acetamide
CID 127254692
2-fluoroethyl 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
CID 75523916
4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one
CID 101246039
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-ethoxyphenol
CID 663570
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
2-[4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-5-[(2-fluorophenyl)methoxy]phenol
CID 1414748

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol?
The IUPAC name of 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol (CID 166473874) is 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol.
What is the SMILES notation for 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol?
The canonical SMILES for 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol is COc1ccc(-c2[nH]ncc2-c2ccc(O)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol?
The InChIKey is YDCBYKRTRUKQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-22-10-4-2-9(3-5-10)16-12(8-19-20-16)11-6-7-13(21)15(18)14(11)17/h2-8,21H,1H3,(H,19,20).
What are the key properties of 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol?
2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol has a molecular weight of 302.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]phenol is sourced from PubChem (CID 166473874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).