N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide

C23H25BrClN3O2 — CID 91938973

IUPACN-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Br)c2)cc(C)c1Cl
InChIInChI=1S/C23H25BrClN3O2/c1-14-9-18(10-15(2)22(14)25)30-13-21(29)26-20-12-19(23(3,4)5)27-28(20)17-8-6-7-16(24)11-17/h6-12H,13H2,1-5H3,(H,26,29)
InChIKeyZTNVEEPUKCVVJW-UHFFFAOYSA-N
MW490.83 g/mol
LogP6.22
Rot. Bonds5

About N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide

N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide (PubChem CID 91938973) has the molecular formula C23H25BrClN3O2 and a molecular weight of 490.83 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
PubChem CID91938973
Molecular FormulaC23H25BrClN3O2
Molecular Weight490.83 g/mol
Exact Mass489.08
IUPAC NameN-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Br)c2)cc(C)c1Cl
InChIInChI=1S/C23H25BrClN3O2/c1-14-9-18(10-15(2)22(14)25)30-13-21(29)26-20-12-19(23(3,4)5)27-28(20)17-8-6-7-16(24)11-17/h6-12H,13H2,1-5H3,(H,26,29)
InChIKeyZTNVEEPUKCVVJW-UHFFFAOYSA-N
XLogP6.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.83
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663
N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 119733627
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46483979
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
2-(4-bromo-2-fluorophenoxy)-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)acetamide
CID 56531553
N-(4-bromo-2,6-dimethylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 2294565
4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride
CID 119294975
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-methylbenzoate
CID 7793614
3-bromo-N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylbenzamide
CID 42733737
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide
CID 1062038
N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-phenylacetamide
CID 46087859

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide (CID 91938973) is N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Br)c2)cc(C)c1Cl.
What is the InChIKey of N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is ZTNVEEPUKCVVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrClN3O2/c1-14-9-18(10-15(2)22(14)25)30-13-21(29)26-20-12-19(23(3,4)5)27-28(20)17-8-6-7-16(24)11-17/h6-12H,13H2,1-5H3,(H,26,29).
What are the key properties of N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide?
N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 490.83 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 91938973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).