1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C15H19F3N4O2 — CID 154739474

IUPAC1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)no1
InChIInChI=1S/C15H19F3N4O2/c1-9-6-10(20-24-9)8-21(5)13(23)11-7-19-22(14(2,3)4)12(11)15(16,17)18/h6-7H,8H2,1-5H3
InChIKeyJRIJBEMOGZLTNP-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.23
Rot. Bonds3

About 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 154739474) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID154739474
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(CN(C)C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)no1
InChIInChI=1S/C15H19F3N4O2/c1-9-6-10(20-24-9)8-21(5)13(23)11-7-19-22(14(2,3)4)12(11)15(16,17)18/h6-7H,8H2,1-5H3
InChIKeyJRIJBEMOGZLTNP-UHFFFAOYSA-N
XLogP3.23
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 154739474) is 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cc(CN(C)C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)no1.
What is the InChIKey of 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is JRIJBEMOGZLTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-9-6-10(20-24-9)8-21(5)13(23)11-7-19-22(14(2,3)4)12(11)15(16,17)18/h6-7H,8H2,1-5H3.
What are the key properties of 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154739474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).