N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide

C17H19F3N4O2 — CID 91631980

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide
SMILESCc1cc(N2CCC(NC(=O)c3ccccc3OC(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C17H19F3N4O2/c1-11-10-15(23-22-11)24-8-6-12(7-9-24)21-16(25)13-4-2-3-5-14(13)26-17(18,19)20/h2-5,10,12H,6-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyAYVRVWJRGARSDQ-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.02
Rot. Bonds4

About N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide

N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 91631980) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide
PubChem CID91631980
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide
SMILESCc1cc(N2CCC(NC(=O)c3ccccc3OC(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C17H19F3N4O2/c1-11-10-15(23-22-11)24-8-6-12(7-9-24)21-16(25)13-4-2-3-5-14(13)26-17(18,19)20/h2-5,10,12H,6-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyAYVRVWJRGARSDQ-UHFFFAOYSA-N
XLogP3.02
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide (CID 91631980) is N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide is Cc1cc(N2CCC(NC(=O)c3ccccc3OC(F)(F)F)CC2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide?
The InChIKey is AYVRVWJRGARSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-11-10-15(23-22-11)24-8-6-12(7-9-24)21-16(25)13-4-2-3-5-14(13)26-17(18,19)20/h2-5,10,12H,6-9H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide has a molecular weight of 368.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 91631980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).