2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide

C14H21F3N4O2 — CID 138035128

IUPAC2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(=O)n(C)[nH]1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H21F3N4O2/c1-9(18-13(23)11-7-12(22)20(2)19-11)10-3-5-21(6-4-10)8-14(15,16)17/h7,9-10,19H,3-6,8H2,1-2H3,(H,18,23)
InChIKeyMWENQTTZGCYIDU-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.11
Rot. Bonds4

About 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide

2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 138035128) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID138035128
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(=O)n(C)[nH]1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H21F3N4O2/c1-9(18-13(23)11-7-12(22)20(2)19-11)10-3-5-21(6-4-10)8-14(15,16)17/h7,9-10,19H,3-6,8H2,1-2H3,(H,18,23)
InChIKeyMWENQTTZGCYIDU-UHFFFAOYSA-N
XLogP1.11
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 138035128) is 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide is CC(NC(=O)c1cc(=O)n(C)[nH]1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MWENQTTZGCYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-9(18-13(23)11-7-12(22)20(2)19-11)10-3-5-21(6-4-10)8-14(15,16)17/h7,9-10,19H,3-6,8H2,1-2H3,(H,18,23).
What are the key properties of 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide?
2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 138035128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).