1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide

C15H19N3O — CID 2747319

IUPAC1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)nn1C(C)(C)C
InChIInChI=1S/C15H19N3O/c1-11-10-13(17-18(11)15(2,3)4)14(19)16-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19)
InChIKeyIJHXLCIYSUIQPQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.20
Rot. Bonds2

About 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide

1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide (PubChem CID 2747319) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide
PubChem CID2747319
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)nn1C(C)(C)C
InChIInChI=1S/C15H19N3O/c1-11-10-13(17-18(11)15(2,3)4)14(19)16-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19)
InChIKeyIJHXLCIYSUIQPQ-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 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide (CID 2747319) is 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide?
The InChIKey is IJHXLCIYSUIQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-10-13(17-18(11)15(2,3)4)14(19)16-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19).
What are the key properties of 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide?
1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide 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 1-tert-butyl-5-methyl-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 2747319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).