N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C11H12F3N5O2 — CID 146142191

IUPACN-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2n[nH]c(C(F)(F)F)c2C)nn1C
InChIInChI=1S/C11H12F3N5O2/c1-5-8(16-17-9(5)11(12,13)14)10(20)15-6-4-7(21-3)19(2)18-6/h4H,1-3H3,(H,16,17)(H,15,18,20)
InChIKeyZFCDELXQACQAFX-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.73
Rot. Bonds3

About N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 146142191) 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)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID146142191
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC NameN-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2n[nH]c(C(F)(F)F)c2C)nn1C
InChIInChI=1S/C11H12F3N5O2/c1-5-8(16-17-9(5)11(12,13)14)10(20)15-6-4-7(21-3)19(2)18-6/h4H,1-3H3,(H,16,17)(H,15,18,20)
InChIKeyZFCDELXQACQAFX-UHFFFAOYSA-N
XLogP1.73
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 146142191) is N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is COc1cc(NC(=O)c2n[nH]c(C(F)(F)F)c2C)nn1C.
What is the InChIKey of N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZFCDELXQACQAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-5-8(16-17-9(5)11(12,13)14)10(20)15-6-4-7(21-3)19(2)18-6/h4H,1-3H3,(H,16,17)(H,15,18,20).
What are the key properties of N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 303.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146142191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).