3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

C15H12Cl2N2 — CID 4738351

IUPAC3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C15H12Cl2N2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2
InChIKeyWVSCAYFAWNRMNC-UHFFFAOYSA-N
MW291.18 g/mol
LogP4.43
Rot. Bonds2

About 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole

3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 4738351) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
PubChem CID4738351
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C15H12Cl2N2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2
InChIKeyWVSCAYFAWNRMNC-UHFFFAOYSA-N
XLogP4.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole (CID 4738351) is 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is Clc1ccc(C2=NNC(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is WVSCAYFAWNRMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,14,18H,9H2.
What are the key properties of 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole?
3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 291.18 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 4738351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).