4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

C16H15ClN2O2 — CID 2888009

IUPAC4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(C2CC(c3cc(Cl)ccc3O)=NN2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-21-12-5-2-10(3-6-12)14-9-15(19-18-14)13-8-11(17)4-7-16(13)20/h2-8,14,18,20H,9H2,1H3
InChIKeyVBUVGGBNQSKNJE-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.49
Rot. Bonds3

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

4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 2888009) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID2888009
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(C2CC(c3cc(Cl)ccc3O)=NN2)cc1
InChIInChI=1S/C16H15ClN2O2/c1-21-12-5-2-10(3-6-12)14-9-15(19-18-14)13-8-11(17)4-7-16(13)20/h2-8,14,18,20H,9H2,1H3
InChIKeyVBUVGGBNQSKNJE-UHFFFAOYSA-N
XLogP3.49
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 2888009) is 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is COc1ccc(C2CC(c3cc(Cl)ccc3O)=NN2)cc1.
What is the InChIKey of 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is VBUVGGBNQSKNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-12-5-2-10(3-6-12)14-9-15(19-18-14)13-8-11(17)4-7-16(13)20/h2-8,14,18,20H,9H2,1H3.
What are the key properties of 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 302.76 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 2888009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).