1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H23F3N6O — CID 169262901

IUPAC1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(N2CCCCC2)nn1C
InChIInChI=1S/C17H23F3N6O/c1-11(12-10-15(23-24(12)2)26-7-5-4-6-8-26)21-16(27)13-9-14(17(18,19)20)22-25(13)3/h9-11H,4-8H2,1-3H3,(H,21,27)
InChIKeyBJVMDKRNJWAPCP-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.65
Rot. Bonds4

About 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 169262901) has the molecular formula C17H23F3N6O and a molecular weight of 384.41 g/mol. Its IUPAC name is 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID169262901
Molecular FormulaC17H23F3N6O
Molecular Weight384.41 g/mol
Exact Mass384.19
IUPAC Name1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(N2CCCCC2)nn1C
InChIInChI=1S/C17H23F3N6O/c1-11(12-10-15(23-24(12)2)26-7-5-4-6-8-26)21-16(27)13-9-14(17(18,19)20)22-25(13)3/h9-11H,4-8H2,1-3H3,(H,21,27)
InChIKeyBJVMDKRNJWAPCP-UHFFFAOYSA-N
XLogP2.65
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 169262901) is 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1cc(N2CCCCC2)nn1C.
What is the InChIKey of 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BJVMDKRNJWAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6O/c1-11(12-10-15(23-24(12)2)26-7-5-4-6-8-26)21-16(27)13-9-14(17(18,19)20)22-25(13)3/h9-11H,4-8H2,1-3H3,(H,21,27).
What are the key properties of 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1-methyl-3-piperidin-1-ylpyrazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 169262901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).