N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

C15H21F3N4O2 — CID 128985943

IUPACN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2cnn(C(C)C)c2)CCC1C(F)(F)F
InChIInChI=1S/C15H21F3N4O2/c1-9(2)22-7-11(6-19-22)14(24)20-12-4-5-13(15(16,17)18)21(8-12)10(3)23/h6-7,9,12-13H,4-5,8H2,1-3H3,(H,20,24)
InChIKeyUDNIZYRZXXSWHH-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.14
Rot. Bonds3

About N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 128985943) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID128985943
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2cnn(C(C)C)c2)CCC1C(F)(F)F
InChIInChI=1S/C15H21F3N4O2/c1-9(2)22-7-11(6-19-22)14(24)20-12-4-5-13(15(16,17)18)21(8-12)10(3)23/h6-7,9,12-13H,4-5,8H2,1-3H3,(H,20,24)
InChIKeyUDNIZYRZXXSWHH-UHFFFAOYSA-N
XLogP2.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 128985943) is N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is CC(=O)N1CC(NC(=O)c2cnn(C(C)C)c2)CCC1C(F)(F)F.
What is the InChIKey of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is UDNIZYRZXXSWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-9(2)22-7-11(6-19-22)14(24)20-12-4-5-13(15(16,17)18)21(8-12)10(3)23/h6-7,9,12-13H,4-5,8H2,1-3H3,(H,20,24).
What are the key properties of N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 128985943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).