acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol

C17H15ClN2O3 — CID 135705191

IUPACacetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol
SMILESCC(=O)O.Oc1ccc(Cl)cc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C15H11ClN2O.C2H4O2/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12;1-2(3)4/h1-10,19H;1H3,(H,3,4)
InChIKeyVZHSJFUZROIKBI-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.99
Rot. Bonds2

About acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol

acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol (PubChem CID 135705191) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol.

Molecular Properties

Compound Nameacetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol
PubChem CID135705191
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Nameacetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol
SMILESCC(=O)O.Oc1ccc(Cl)cc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C15H11ClN2O.C2H4O2/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12;1-2(3)4/h1-10,19H;1H3,(H,3,4)
InChIKeyVZHSJFUZROIKBI-UHFFFAOYSA-N
XLogP3.99
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804779
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
5-(5-Chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole
CID 854141
4-chloro-2-[(Z)-C-[1-(3,4-difluorophenyl)pyrazol-4-yl]-N-hydroxycarbonimidoyl]phenol
CID 136199938
4-chloro-2-[(E)-hydroxyiminomethyl]-6-[(4-pyrazol-1-ylanilino)methyl]phenol
CID 162652022
[3-(4-Chlorophenyl)-1-(4-hydroxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 54586480
2-[2-(2-Fluorophenyl)pyrazol-3-yl]phenol
CID 135465517
4-[2-(2-Chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
CID 136382722
4-chloro-2-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 172438899
4-chloro-2-[3-[(E)-2-(2-chlorophenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 172439111
2-[3-[(E)-2-(3-chlorophenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 172442008
2-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 172446982

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol?
The IUPAC name of acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol (CID 135705191) is acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol.
What is the SMILES notation for acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol?
The canonical SMILES for acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol is CC(=O)O.Oc1ccc(Cl)cc1-c1ccnn1-c1ccccc1.
What is the InChIKey of acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol?
The InChIKey is VZHSJFUZROIKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O.C2H4O2/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12;1-2(3)4/h1-10,19H;1H3,(H,3,4).
What are the key properties of acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol?
acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol has a molecular weight of 330.77 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-chloro-2-(2-phenylpyrazol-3-yl)phenol is sourced from PubChem (CID 135705191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).