4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol

C16H13ClN2O — CID 838874

IUPAC4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol
SMILESCc1cc(O)c(-c2ccn(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H13ClN2O/c1-11-9-16(20)13(10-14(11)17)15-7-8-19(18-15)12-5-3-2-4-6-12/h2-10,20H,1H3
InChIKeyBFGFWCJQJOKOTF-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.21
Rot. Bonds2

About 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol

4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol (PubChem CID 838874) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol
PubChem CID838874
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol
SMILESCc1cc(O)c(-c2ccn(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H13ClN2O/c1-11-9-16(20)13(10-14(11)17)15-7-8-19(18-15)12-5-3-2-4-6-12/h2-10,20H,1H3
InChIKeyBFGFWCJQJOKOTF-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol?
The IUPAC name of 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol (CID 838874) is 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol?
The canonical SMILES for 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol is Cc1cc(O)c(-c2ccn(-c3ccccc3)n2)cc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol?
The InChIKey is BFGFWCJQJOKOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-9-16(20)13(10-14(11)17)15-7-8-19(18-15)12-5-3-2-4-6-12/h2-10,20H,1H3.
What are the key properties of 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol?
4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol has a molecular weight of 284.75 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(1-phenylpyrazol-3-yl)phenol is sourced from PubChem (CID 838874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).