3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide

C16H23F3N4O2 — CID 42378652

IUPAC3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O2/c1-11(2)9-14(24)21-13-3-6-20-23(13)12-4-7-22(8-5-12)15(25)10-16(17,18)19/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,21,24)
InChIKeyNWTISNCNKVNYGH-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.98
Rot. Bonds5

About 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 42378652) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID42378652
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O2/c1-11(2)9-14(24)21-13-3-6-20-23(13)12-4-7-22(8-5-12)15(25)10-16(17,18)19/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,21,24)
InChIKeyNWTISNCNKVNYGH-UHFFFAOYSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide with MolForge

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Related Compounds

N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 46981191
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 56811009
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681291
N-(1-cyclohexyl-1H-pyrazol-5-yl)-2-cyclopropylacetamide
CID 29022543
N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 40199339
N-(2-cyclohexylpyrazol-3-yl)propanamide
CID 40199343
ethyl 4-{5-[(cyclopentylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42213840
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
N-[3-[(2-cyclopentylpyrazol-3-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 71942007

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 42378652) is 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is NWTISNCNKVNYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-11(2)9-14(24)21-13-3-6-20-23(13)12-4-7-22(8-5-12)15(25)10-16(17,18)19/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,21,24).
What are the key properties of 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 360.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 42378652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).