4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol

C16H13ClN2O — CID 759756

IUPAC4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1
InChIInChI=1S/C16H13ClN2O/c1-10-2-4-11(5-3-10)14-9-15(19-18-14)13-8-12(17)6-7-16(13)20/h2-9,20H,1H3,(H,18,19)
InChIKeyGBBTTYJYQQPOQC-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol

4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 759756) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID759756
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccc(-c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1
InChIInChI=1S/C16H13ClN2O/c1-10-2-4-11(5-3-10)14-9-15(19-18-14)13-8-12(17)6-7-16(13)20/h2-9,20H,1H3,(H,18,19)
InChIKeyGBBTTYJYQQPOQC-UHFFFAOYSA-N
XLogP4.41
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol (CID 759756) is 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol is Cc1ccc(-c2cc(-c3cc(Cl)ccc3O)[nH]n2)cc1.
What is the InChIKey of 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is GBBTTYJYQQPOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-2-4-11(5-3-10)14-9-15(19-18-14)13-8-12(17)6-7-16(13)20/h2-9,20H,1H3,(H,18,19).
What are the key properties of 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol?
4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 284.75 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 759756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).