N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C9H12F3N3O — CID 60890286

IUPACN,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5-7(6(2)14-13-5)8(16)15(3)4-9(10,11)12/h4H2,1-3H3,(H,13,14)
InChIKeyKOXCCRNHDWMNOF-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.66
Rot. Bonds2

About N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 60890286) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID60890286
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O/c1-5-7(6(2)14-13-5)8(16)15(3)4-9(10,11)12/h4H2,1-3H3,(H,13,14)
InChIKeyKOXCCRNHDWMNOF-UHFFFAOYSA-N
XLogP1.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 60890286) is N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KOXCCRNHDWMNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-7(6(2)14-13-5)8(16)15(3)4-9(10,11)12/h4H2,1-3H3,(H,13,14).
What are the key properties of N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60890286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).