3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol

C10H8F2N2O — CID 90292645

IUPAC3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol
SMILESCc1c(O)cc(-c2cn[nH]c2)c(F)c1F
InChIInChI=1S/C10H8F2N2O/c1-5-8(15)2-7(10(12)9(5)11)6-3-13-14-4-6/h2-4,15H,1H3,(H,13,14)
InChIKeyWYVWSZAKYFZVMC-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.37
Rot. Bonds1

About 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol

3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol (PubChem CID 90292645) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol
PubChem CID90292645
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol
SMILESCc1c(O)cc(-c2cn[nH]c2)c(F)c1F
InChIInChI=1S/C10H8F2N2O/c1-5-8(15)2-7(10(12)9(5)11)6-3-13-14-4-6/h2-4,15H,1H3,(H,13,14)
InChIKeyWYVWSZAKYFZVMC-UHFFFAOYSA-N
XLogP2.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
CID 90292619
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole
CID 139299055
4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
4-(2-fluorophenyl)-1H-pyrazole;hydrochloride
CID 66953451
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-hydroxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662948
4-(2-methoxy-4-methylphenyl)-1H-pyrazole
CID 137381850
4-(4-fluorophenyl)-1H-pyrazole
CID 15376482
5-methyl-3-(1H-pyrazol-4-yl)pyridazine
CID 168929867
4-[3,6,8-tris(1H-pyrazol-4-yl)pyren-1-yl]-1H-pyrazole
CID 156698831
[2-(1H-pyrazol-4-yl)phenyl]boronic acid
CID 67224191
2-fluoro-6-[6-methyl-5-(methyldiazenyl)-3-pyridinyl]-3-(1H-pyrazol-4-yl)phenol;2,2,4,6,6-pentamethylpiperidine
CID 153382850

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol (CID 90292645) is 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol is Cc1c(O)cc(-c2cn[nH]c2)c(F)c1F.
What is the InChIKey of 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is WYVWSZAKYFZVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-5-8(15)2-7(10(12)9(5)11)6-3-13-14-4-6/h2-4,15H,1H3,(H,13,14).
What are the key properties of 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol?
3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 210.18 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 90292645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).