4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane

C18H19ClN2O3 — CID 158450650

IUPAC4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane
SMILESCOC.Cc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccccc1
InChIInChI=1S/C16H13ClN2O2.C2H6O/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20;1-3-2/h2-8,20-21H,1H3,(H,18,19);1-2H3
InChIKeyHDYATRVHAQZCPN-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.38
Rot. Bonds2

About 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane

4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane (PubChem CID 158450650) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane.

Molecular Properties

Compound Name4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane
PubChem CID158450650
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane
SMILESCOC.Cc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccccc1
InChIInChI=1S/C16H13ClN2O2.C2H6O/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20;1-3-2/h2-8,20-21H,1H3,(H,18,19);1-2H3
InChIKeyHDYATRVHAQZCPN-UHFFFAOYSA-N
XLogP4.38
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
4-chloro-6-[4-[5-(3-methoxyphenyl)-5-methylcyclohepta-1,3,6-trien-1-yl]-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 142259986
4-hydroxy-5-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzene-1,2-dicarbonitrile
CID 91973364
4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 135567427
4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 888681
3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 135445187
4-[4-(2-chloro-5-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 135814699
3-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenol
CID 22953773
5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 943784
5-methoxy-2-[5-methyl-4-(4-phenylphenoxy)-1H-pyrazol-3-yl]phenol
CID 1325225
3-(5-chloro-2-hydroxy-4-nitrosophenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 142960204
2-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenol
CID 135677569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane?
The IUPAC name of 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane (CID 158450650) is 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane.
What is the SMILES notation for 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane?
The canonical SMILES for 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane is COC.Cc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccccc1.
What is the InChIKey of 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane?
The InChIKey is HDYATRVHAQZCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2.C2H6O/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20;1-3-2/h2-8,20-21H,1H3,(H,18,19);1-2H3.
What are the key properties of 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane?
4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane has a molecular weight of 346.81 g/mol, XLogP of 4.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-methyl-4-phenyl-1H-pyrazol-3-yl)benzene-1,3-diol;methoxymethane is sourced from PubChem (CID 158450650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).