N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide

C15H19N3O — CID 110685975

IUPACN-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-11-10-13(14(19)16-15(2,3)4)18(17-11)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19)
InChIKeyIJGRTJSDWJDTDM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.71
Rot. Bonds2

About N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide

N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 110685975) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID110685975
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-11-10-13(14(19)16-15(2,3)4)18(17-11)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19)
InChIKeyIJGRTJSDWJDTDM-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
N-(2-fluoro-5-methylphenyl)sulfonyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 166371653
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758503
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
5-acetamido-N-tert-butyl-1-phenylpyrazole-3-carboxamide
CID 51999377
N-tert-butyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758673
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 141476991
N-tert-butyl-5-(chloromethyl)-1-phenylpyrazole-4-carboxamide
CID 139497527
3-methyl-5-[(2-methylpropan-2-yl)oxy]-1-phenylpyrazole
CID 59067540

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide (CID 110685975) is N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)(C)C)n(-c2ccccc2)n1.
What is the InChIKey of N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is IJGRTJSDWJDTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-10-13(14(19)16-15(2,3)4)18(17-11)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide?
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 110685975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).