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

C15H19N3O — CID 2818809

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2)n(C(C)(C)C)n1
InChIInChI=1S/C15H19N3O/c1-11-10-13(18(17-11)15(2,3)4)16-14(19)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19)
InChIKeyCAZXAZYZVODCRW-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.20
Rot. Bonds2

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

N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide (PubChem CID 2818809) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide
PubChem CID2818809
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2)n(C(C)(C)C)n1
InChIInChI=1S/C15H19N3O/c1-11-10-13(18(17-11)15(2,3)4)16-14(19)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19)
InChIKeyCAZXAZYZVODCRW-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide (CID 2818809) is N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccccc2)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide?
The InChIKey is CAZXAZYZVODCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-10-13(18(17-11)15(2,3)4)16-14(19)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19).
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 3.20, 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)benzamide is sourced from PubChem (CID 2818809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).