N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide

C16H24F2N4O2 — CID 48680303

IUPACN-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCC(=O)NC1CCCC1
InChIInChI=1S/C16H24F2N4O2/c1-10-13(11(2)22(21-10)16(17)18)9-15(24)19-8-7-14(23)20-12-5-3-4-6-12/h12,16H,3-9H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyGZGFBKWPUBCGGR-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.00
Rot. Bonds7

About N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide

N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide (PubChem CID 48680303) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
PubChem CID48680303
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC NameN-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCC(=O)NC1CCCC1
InChIInChI=1S/C16H24F2N4O2/c1-10-13(11(2)22(21-10)16(17)18)9-15(24)19-8-7-14(23)20-12-5-3-4-6-12/h12,16H,3-9H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyGZGFBKWPUBCGGR-UHFFFAOYSA-N
XLogP2.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide (CID 48680303) is N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide?
The InChIKey is GZGFBKWPUBCGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-10-13(11(2)22(21-10)16(17)18)9-15(24)19-8-7-14(23)20-12-5-3-4-6-12/h12,16H,3-9H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide?
N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide has a molecular weight of 342.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide is sourced from PubChem (CID 48680303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).