[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol

C13H14F2N2O3 — CID 114634220

IUPAC[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cnn(C)c1C(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14F2N2O3/c1-17-11(10(19-2)7-16-17)12(18)8-3-5-9(6-4-8)20-13(14)15/h3-7,12-13,18H,1-2H3
InChIKeyHOGZYQRQUMZCMB-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.11
Rot. Bonds5

About [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol

[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol (PubChem CID 114634220) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
PubChem CID114634220
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
SMILESCOc1cnn(C)c1C(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14F2N2O3/c1-17-11(10(19-2)7-16-17)12(18)8-3-5-9(6-4-8)20-13(14)15/h3-7,12-13,18H,1-2H3
InChIKeyHOGZYQRQUMZCMB-UHFFFAOYSA-N
XLogP2.11
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
CID 115836806
(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 114635097
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516
3-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]benzonitrile
CID 114637573
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2-methoxy-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 115836879
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644854
(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The IUPAC name of [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol (CID 114634220) is [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol is COc1cnn(C)c1C(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
The InChIKey is HOGZYQRQUMZCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-17-11(10(19-2)7-16-17)12(18)8-3-5-9(6-4-8)20-13(14)15/h3-7,12-13,18H,1-2H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol?
[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol has a molecular weight of 284.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).