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

C15H13ClN2 — CID 11368884

IUPAC3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNCC2c2ccccc2)cc1
InChIInChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-14(10-17-18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2
InChIKeySKLKZKAMWPQZLM-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.43
Rot. Bonds2

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

3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole (PubChem CID 11368884) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
PubChem CID11368884
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole
SMILESClc1ccc(C2=NNCC2c2ccccc2)cc1
InChIInChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-14(10-17-18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2
InChIKeySKLKZKAMWPQZLM-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-ethyl-4-phenyl-4,5-dihydro-1H-pyrazole
CID 11842292
3-(4-chlorophenyl)-1-methyl-4-phenyl-4,5-dihydro-1H-pyrazole
CID 11842294
1H-Pyrazole, 5-(4-chlorophenyl)-4,5-dihydro-3-phenyl-
CID 4738347
1H-Pyrazole, 3,5-bis(4-chlorophenyl)-4,5-dihydro-
CID 4738351
5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
CID 127034566
5-(4-chlorophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 44455352
5-(2-chlorophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 44455354
3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
CID 45267781
5-(4-Chloro-phenyl)-3-naphthalen-1-yl-4,5-dihydro-1h-pyrazole
CID 129886230
3-(4-Chlorophenyl)-2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole
CID 155559410
5-(3-chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 403633
3,5-Bis(2,6-dichlorophenyl)-4,5-dihydropyrazole
CID 15327622

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole (CID 11368884) is 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole is Clc1ccc(C2=NNCC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole?
The InChIKey is SKLKZKAMWPQZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-14(10-17-18-15)11-4-2-1-3-5-11/h1-9,14,17H,10H2.
What are the key properties of 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole?
3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole has a molecular weight of 256.74 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 11368884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).