5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole

C23H23ClN2 — CID 72696137

IUPAC5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C23H23ClN2/c1-23(2,3)22-15-21(26(25-22)20-12-10-19(24)11-13-20)18-9-8-16-6-4-5-7-17(16)14-18/h4-14,21H,15H2,1-3H3
InChIKeyMCVGIRNUHREYLP-UHFFFAOYSA-N
MW362.90 g/mol
LogP6.85
Rot. Bonds2

About 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole

5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole (PubChem CID 72696137) has the molecular formula C23H23ClN2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole
PubChem CID72696137
Molecular FormulaC23H23ClN2
Molecular Weight362.90 g/mol
Exact Mass362.15
IUPAC Name5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C23H23ClN2/c1-23(2,3)22-15-21(26(25-22)20-12-10-19(24)11-13-20)18-9-8-16-6-4-5-7-17(16)14-18/h4-14,21H,15H2,1-3H3
InChIKeyMCVGIRNUHREYLP-UHFFFAOYSA-N
XLogP6.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Naphthalenyl)-1,3-diphenyl-2-pyrazoline
CID 11617204
5-(3,4-Dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
CID 71524960
5-(3,4-Dichlorophenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525009
5-(4-Methylphenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
CID 2725645
5-(4-Methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 14246200
5-(4-Chlorophenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 14246203
5-(4-Chlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
CID 71524917
5-Tert-butyl-2,3-bis(4-chlorophenyl)-3,4-dihydropyrazole
CID 72696260
3-(2-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
CID 71519030
3-(4-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
CID 71519031
3-(3-chlorophenyl)-2-phenyl-5-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-3,4-dihydropyrazole
CID 71519032
5-Tert-butyl-2-(4-chlorophenyl)-3-(4-phenylphenyl)-3,4-dihydropyrazole
CID 72696259

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole (CID 72696137) is 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole is CC(C)(C)C1=NN(c2ccc(Cl)cc2)C(c2ccc3ccccc3c2)C1.
What is the InChIKey of 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole?
The InChIKey is MCVGIRNUHREYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2/c1-23(2,3)22-15-21(26(25-22)20-12-10-19(24)11-13-20)18-9-8-16-6-4-5-7-17(16)14-18/h4-14,21H,15H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole?
5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole has a molecular weight of 362.90 g/mol, XLogP of 6.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4-chlorophenyl)-3-naphthalen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 72696137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).