N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C15H21F3N4O2 — CID 128989562

IUPACN-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCCCn1cc(C(=O)N2CC(NC(C)=O)CCC2C(F)(F)F)cn1
InChIInChI=1S/C15H21F3N4O2/c1-3-6-21-8-11(7-19-21)14(24)22-9-12(20-10(2)23)4-5-13(22)15(16,17)18/h7-8,12-13H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyYPGKOMDWAPMSFM-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.96
Rot. Bonds4

About N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 128989562) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID128989562
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCCCn1cc(C(=O)N2CC(NC(C)=O)CCC2C(F)(F)F)cn1
InChIInChI=1S/C15H21F3N4O2/c1-3-6-21-8-11(7-19-21)14(24)22-9-12(20-10(2)23)4-5-13(22)15(16,17)18/h7-8,12-13H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyYPGKOMDWAPMSFM-UHFFFAOYSA-N
XLogP1.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 128989562) is N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CCCn1cc(C(=O)N2CC(NC(C)=O)CCC2C(F)(F)F)cn1.
What is the InChIKey of N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is YPGKOMDWAPMSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-3-6-21-8-11(7-19-21)14(24)22-9-12(20-10(2)23)4-5-13(22)15(16,17)18/h7-8,12-13H,3-6,9H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylpyrazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 128989562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).