1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole

C17H15ClN2Se — CID 156773487

IUPAC1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1[Se]c1ccccc1
InChIInChI=1S/C17H15ClN2Se/c1-12-17(21-16-6-4-3-5-7-16)13(2)20(19-12)15-10-8-14(18)9-11-15/h3-11H,1-2H3
InChIKeyBVYOKFJVLJKWOV-UHFFFAOYSA-N
MW361.73 g/mol
LogP2.80
Rot. Bonds3

About 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole

1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole (PubChem CID 156773487) has the molecular formula C17H15ClN2Se and a molecular weight of 361.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole
PubChem CID156773487
Molecular FormulaC17H15ClN2Se
Molecular Weight361.73 g/mol
Exact Mass362.01
IUPAC Name1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1[Se]c1ccccc1
InChIInChI=1S/C17H15ClN2Se/c1-12-17(21-16-6-4-3-5-7-16)13(2)20(19-12)15-10-8-14(18)9-11-15/h3-11H,1-2H3
InChIKeyBVYOKFJVLJKWOV-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.73
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1,5-diphenyl-4-phenylselanylpyrazole
CID 146162070
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
1-(4-chlorophenyl)-4-(2-hydroperoxy-2,2-diphenylethyl)-3,5-dimethylpyrazole
CID 10526086
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125
4-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-1,2,4-triazine-3,5-dione
CID 25106995
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
3-(4-chlorophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 101421740
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9334963
4-[(4-chlorobenzoyl)amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzamide
CID 21369168
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole (CID 156773487) is 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole is Cc1nn(-c2ccc(Cl)cc2)c(C)c1[Se]c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole?
The InChIKey is BVYOKFJVLJKWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2Se/c1-12-17(21-16-6-4-3-5-7-16)13(2)20(19-12)15-10-8-14(18)9-11-15/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole?
1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole has a molecular weight of 361.73 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,5-dimethyl-4-phenylselanylpyrazole is sourced from PubChem (CID 156773487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).