2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol

C12H14N2O2 — CID 136603783

IUPAC2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol
SMILESCOCc1cn(C)nc1-c1ccccc1O
InChIInChI=1S/C12H14N2O2/c1-14-7-9(8-16-2)12(13-14)10-5-3-4-6-11(10)15/h3-7,15H,8H2,1-2H3
InChIKeyFHTITIKAMHCKKK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.94
Rot. Bonds3

About 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol

2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol (PubChem CID 136603783) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol
PubChem CID136603783
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol
SMILESCOCc1cn(C)nc1-c1ccccc1O
InChIInChI=1S/C12H14N2O2/c1-14-7-9(8-16-2)12(13-14)10-5-3-4-6-11(10)15/h3-7,15H,8H2,1-2H3
InChIKeyFHTITIKAMHCKKK-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile
CID 135858163
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
CID 39095734
4-(methoxymethyl)-1-methylpyrazol-3-amine
CID 105428233
2-[4-[4-[3-(2-hydroxy-5-methylphenyl)-1-methylpyrazol-4-yl]butyl]-1-methylpyrazol-3-yl]-4-methylphenol
CID 136603777
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377
2-[4-[2-(4-aminophenyl)ethynyl]-1-methylpyrazol-3-yl]phenol
CID 135508020
1-(chloromethyl)-2-[2-(methoxymethyl)phenyl]benzene
CID 139783767
[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine
CID 79484440
2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol
CID 140692175
2-(methoxymethyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-4-nitroaniline
CID 133464035
N-[[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485385
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485379

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol?
The IUPAC name of 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol (CID 136603783) is 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol.
What is the SMILES notation for 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol?
The canonical SMILES for 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol is COCc1cn(C)nc1-c1ccccc1O.
What is the InChIKey of 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol?
The InChIKey is FHTITIKAMHCKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14-7-9(8-16-2)12(13-14)10-5-3-4-6-11(10)15/h3-7,15H,8H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol?
2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol is sourced from PubChem (CID 136603783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).