1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C11H12F3N5O — CID 19267637

IUPAC1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1cc(CNC(=O)c2cc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-18-6-7(5-16-18)4-15-10(20)8-3-9(11(12,13)14)19(2)17-8/h3,5-6H,4H2,1-2H3,(H,15,20)
InChIKeyLPBHQHFJMSXAQB-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.10
Rot. Bonds3

About 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267637) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267637
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1cc(CNC(=O)c2cc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-18-6-7(5-16-18)4-15-10(20)8-3-9(11(12,13)14)19(2)17-8/h3,5-6H,4H2,1-2H3,(H,15,20)
InChIKeyLPBHQHFJMSXAQB-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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Related Compounds

4-chloro-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267927
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267597
N-[(2-chlorophenyl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47000839
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267801
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169
5-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19290645
5-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 107375122
4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-3-sulfanylbenzamide
CID 107027465
N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 166260812
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267656
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267637) is 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1cc(CNC(=O)c2cc(C(F)(F)F)n(C)n2)cn1.
What is the InChIKey of 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is LPBHQHFJMSXAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-18-6-7(5-16-18)4-15-10(20)8-3-9(11(12,13)14)19(2)17-8/h3,5-6H,4H2,1-2H3,(H,15,20).
What are the key properties of 1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-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-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).