N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

C11H12F3N5O2 — CID 138016990

IUPACN-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccn(CC(F)(F)F)n2)nn1C
InChIInChI=1S/C11H12F3N5O2/c1-18-9(21-2)5-8(17-18)15-10(20)7-3-4-19(16-7)6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,17,20)
InChIKeyVGMPHPZOMZIHFU-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.44
Rot. Bonds4

About N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide

N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (PubChem CID 138016990) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
PubChem CID138016990
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC NameN-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccn(CC(F)(F)F)n2)nn1C
InChIInChI=1S/C11H12F3N5O2/c1-18-9(21-2)5-8(17-18)15-10(20)7-3-4-19(16-7)6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,17,20)
InChIKeyVGMPHPZOMZIHFU-UHFFFAOYSA-N
XLogP1.44
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide (CID 138016990) is N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is COc1cc(NC(=O)c2ccn(CC(F)(F)F)n2)nn1C.
What is the InChIKey of N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
The InChIKey is VGMPHPZOMZIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-18-9(21-2)5-8(17-18)15-10(20)7-3-4-19(16-7)6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,17,20).
What are the key properties of N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide?
N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide has a molecular weight of 303.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138016990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).