N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide

C15H18ClN3O — CID 2818806

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)n(C(C)(C)C)n1
InChIInChI=1S/C15H18ClN3O/c1-10-9-13(19(18-10)15(2,3)4)17-14(20)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20)
InChIKeyRSGRQDVOTIKLBH-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.85
Rot. Bonds2

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide (PubChem CID 2818806) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide
PubChem CID2818806
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)n(C(C)(C)C)n1
InChIInChI=1S/C15H18ClN3O/c1-10-9-13(19(18-10)15(2,3)4)17-14(20)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20)
InChIKeyRSGRQDVOTIKLBH-UHFFFAOYSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330979
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330983
Benzamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 4247366
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
2,6-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330985
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 2818808
3-Chloro-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide
CID 11234162

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide (CID 2818806) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide is Cc1cc(NC(=O)c2ccccc2Cl)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide?
The InChIKey is RSGRQDVOTIKLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-9-13(19(18-10)15(2,3)4)17-14(20)11-7-5-6-8-12(11)16/h5-9H,1-4H3,(H,17,20).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide has a molecular weight of 291.78 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-chlorobenzamide is sourced from PubChem (CID 2818806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).