N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C11H12F3N5O — CID 29152157

IUPACN-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCn1ccnc1)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H12F3N5O/c1-18(4-5-19-3-2-15-7-19)10(20)8-6-9(17-16-8)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyLOVRJSMNVUSWAG-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.40
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 29152157) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID29152157
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC NameN-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCn1ccnc1)C(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H12F3N5O/c1-18(4-5-19-3-2-15-7-19)10(20)8-6-9(17-16-8)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyLOVRJSMNVUSWAG-UHFFFAOYSA-N
XLogP1.40
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 29152157) is N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CN(CCn1ccnc1)C(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is LOVRJSMNVUSWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-18(4-5-19-3-2-15-7-19)10(20)8-6-9(17-16-8)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,16,17).
What are the key properties of N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 29152157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).