N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

C17H19F3N4O — CID 154654049

IUPACN-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2[nH]ncc2-c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H19F3N4O/c1-24-7-5-13(6-8-24)22-16(25)15-14(10-21-23-15)11-3-2-4-12(9-11)17(18,19)20/h2-4,9-10,13H,5-8H2,1H3,(H,21,23)(H,22,25)
InChIKeyXHMHLKXVCSFFBS-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.92
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide

N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 154654049) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID154654049
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2[nH]ncc2-c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H19F3N4O/c1-24-7-5-13(6-8-24)22-16(25)15-14(10-21-23-15)11-3-2-4-12(9-11)17(18,19)20/h2-4,9-10,13H,5-8H2,1H3,(H,21,23)(H,22,25)
InChIKeyXHMHLKXVCSFFBS-UHFFFAOYSA-N
XLogP2.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 154654049) is N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is CN1CCC(NC(=O)c2[nH]ncc2-c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XHMHLKXVCSFFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-24-7-5-13(6-8-24)22-16(25)15-14(10-21-23-15)11-3-2-4-12(9-11)17(18,19)20/h2-4,9-10,13H,5-8H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide?
N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154654049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).