4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol

C19H15ClN2OS — CID 118095336

IUPAC4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccc(C2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2OS/c20-14-5-7-15(8-6-14)22-18(13-3-9-16(23)10-4-13)12-17(21-22)19-2-1-11-24-19/h1-11,18,23H,12H2
InChIKeyRXRXDWKLZUYZKS-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.46
Rot. Bonds3

About 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol

4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 118095336) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
PubChem CID118095336
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccc(C2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2OS/c20-14-5-7-15(8-6-14)22-18(13-3-9-16(23)10-4-13)12-17(21-22)19-2-1-11-24-19/h1-11,18,23H,12H2
InChIKeyRXRXDWKLZUYZKS-UHFFFAOYSA-N
XLogP5.46
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol (CID 118095336) is 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol is Oc1ccc(C2CC(c3cccs3)=NN2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is RXRXDWKLZUYZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c20-14-5-7-15(8-6-14)22-18(13-3-9-16(23)10-4-13)12-17(21-22)19-2-1-11-24-19/h1-11,18,23H,12H2.
What are the key properties of 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol?
4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 354.86 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 118095336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).