2-(5-chloro-1-methylpyrazol-4-yl)phenol

C10H9ClN2O — CID 84676420

IUPAC2-(5-chloro-1-methylpyrazol-4-yl)phenol
SMILESCn1ncc(-c2ccccc2O)c1Cl
InChIInChI=1S/C10H9ClN2O/c1-13-10(11)8(6-12-13)7-4-2-3-5-9(7)14/h2-6,14H,1H3
InChIKeyCJVNULLUJLYXAZ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.45
Rot. Bonds1

About 2-(5-chloro-1-methylpyrazol-4-yl)phenol

2-(5-chloro-1-methylpyrazol-4-yl)phenol (PubChem CID 84676420) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(5-chloro-1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(5-chloro-1-methylpyrazol-4-yl)phenol
PubChem CID84676420
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-(5-chloro-1-methylpyrazol-4-yl)phenol
SMILESCn1ncc(-c2ccccc2O)c1Cl
InChIInChI=1S/C10H9ClN2O/c1-13-10(11)8(6-12-13)7-4-2-3-5-9(7)14/h2-6,14H,1H3
InChIKeyCJVNULLUJLYXAZ-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
3-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676422
2-(5-chloro-1-methylimidazol-2-yl)phenol
CID 137000627
6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride
CID 154577022
2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
CID 136758054
2-(3-chloro-4-pyridinyl)phenol;ethane
CID 144591018
2-(4-isocyanato-1-methylpyrazol-5-yl)phenol
CID 136934483
2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 136934476
2-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423713
3-[4-(2-chlorophenyl)-1-methylpyrazol-5-yl]-2-methylpropanoic acid
CID 105423932
2-[2-[4-[2-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenol
CID 71519972
2-(2-chloro-1,3-oxazol-4-yl)phenol
CID 105449568

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-(5-chloro-1-methylpyrazol-4-yl)phenol (CID 84676420) is 2-(5-chloro-1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-(5-chloro-1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-(5-chloro-1-methylpyrazol-4-yl)phenol is Cn1ncc(-c2ccccc2O)c1Cl.
What is the InChIKey of 2-(5-chloro-1-methylpyrazol-4-yl)phenol?
The InChIKey is CJVNULLUJLYXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-13-10(11)8(6-12-13)7-4-2-3-5-9(7)14/h2-6,14H,1H3.
What are the key properties of 2-(5-chloro-1-methylpyrazol-4-yl)phenol?
2-(5-chloro-1-methylpyrazol-4-yl)phenol has a molecular weight of 208.65 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 84676420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).