1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H12F3N5O — CID 4770632

IUPAC1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C11H12F3N5O/c1-18-4-3-7(16-18)6-15-10(20)8-5-9(11(12,13)14)17-19(8)2/h3-5H,6H2,1-2H3,(H,15,20)
InChIKeyOWTRDEBDGMFAOX-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.10
Rot. Bonds3

About 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4770632) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4770632
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C11H12F3N5O/c1-18-4-3-7(16-18)6-15-10(20)8-5-9(11(12,13)14)17-19(8)2/h3-5H,6H2,1-2H3,(H,15,20)
InChIKeyOWTRDEBDGMFAOX-UHFFFAOYSA-N
XLogP1.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4770632) is 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1ccc(CNC(=O)c2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is OWTRDEBDGMFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-18-4-3-7(16-18)6-15-10(20)8-5-9(11(12,13)14)17-19(8)2/h3-5H,6H2,1-2H3,(H,15,20).
What are the key properties of 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4770632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).