3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole

C19H19ClN2 — CID 58688948

IUPAC3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole
SMILESCC(C)(C)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C19H19ClN2/c1-19(2,3)18-13-17(15-11-7-8-12-16(15)20)22(21-18)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyIGHSKNYJDLPZPJ-UHFFFAOYSA-N
MW310.83 g/mol
LogP5.49
Rot. Bonds2

About 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole

3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole (PubChem CID 58688948) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole
PubChem CID58688948
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole
SMILESCC(C)(C)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C19H19ClN2/c1-19(2,3)18-13-17(15-11-7-8-12-16(15)20)22(21-18)14-9-5-4-6-10-14/h4-13H,1-3H3
InChIKeyIGHSKNYJDLPZPJ-UHFFFAOYSA-N
XLogP5.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.83
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-bromophenyl)-5-(2-chlorophenyl)pyrazol-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59631937
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
3,5-ditert-butyl-1-(2-chlorophenyl)pyrazole
CID 43531669
5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
CID 139225206
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
CID 1299057
4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 67760171
3-tert-butyl-5-phenyl-1-(trifluoromethyl)pyrazole
CID 140579501
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072636
N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 140973753
2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135536817

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole?
The IUPAC name of 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole (CID 58688948) is 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole.
What is the SMILES notation for 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole?
The canonical SMILES for 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole is CC(C)(C)c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole?
The InChIKey is IGHSKNYJDLPZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-19(2,3)18-13-17(15-11-7-8-12-16(15)20)22(21-18)14-9-5-4-6-10-14/h4-13H,1-3H3.
What are the key properties of 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole?
3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole has a molecular weight of 310.83 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole is sourced from PubChem (CID 58688948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).