N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide

C22H24ClN3O2 — CID 42732663

IUPACN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-15-5-9-17(10-6-15)26-20(13-19(25-26)22(2,3)4)24-21(27)14-28-18-11-7-16(23)8-12-18/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyAIRRLBHCQFJYLD-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.15
Rot. Bonds5

About N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide

N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide (PubChem CID 42732663) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
PubChem CID42732663
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-15-5-9-17(10-6-15)26-20(13-19(25-26)22(2,3)4)24-21(27)14-28-18-11-7-16(23)8-12-18/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyAIRRLBHCQFJYLD-UHFFFAOYSA-N
XLogP5.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.15
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-[[2-(4-chlorophenoxy)acetyl]-methylamino]acetamide
CID 42734729
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide
CID 1062038
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46483979
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(4-ethoxyphenyl)carbamoyl-ethylamino]acetamide
CID 1062165
(4-methylphenyl) N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 67091124
5-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-5-oxopentanoic acid
CID 5227802
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
N-[1-(3-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 91938973
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 42733712
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide
CID 42734752

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide (CID 42732663) is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is AIRRLBHCQFJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-5-9-17(10-6-15)26-20(13-19(25-26)22(2,3)4)24-21(27)14-28-18-11-7-16(23)8-12-18/h5-13H,14H2,1-4H3,(H,24,27).
What are the key properties of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide?
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 397.91 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 42732663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).