1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

C12H17F3N4O — CID 4769752

IUPAC1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2cc(C(F)(F)F)n(C)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)16-11(20)9-7-10(12(13,14)15)19(2)17-9/h7-8H,3-6H2,1-2H3,(H,16,20)
InChIKeyDHHPZCSLFMEZSJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.26
Rot. Bonds2

About 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4769752) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4769752
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2cc(C(F)(F)F)n(C)n2)CC1
InChIInChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)16-11(20)9-7-10(12(13,14)15)19(2)17-9/h7-8H,3-6H2,1-2H3,(H,16,20)
InChIKeyDHHPZCSLFMEZSJ-UHFFFAOYSA-N
XLogP1.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4769752) is 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is CN1CCC(NC(=O)c2cc(C(F)(F)F)n(C)n2)CC1.
What is the InChIKey of 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is DHHPZCSLFMEZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18-5-3-8(4-6-18)16-11(20)9-7-10(12(13,14)15)19(2)17-9/h7-8H,3-6H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4769752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).