3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

C10H14F3N3O — CID 62039663

IUPAC3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-7-8(6-15-16-7)3-2-4-14-9(17)5-10(11,12)13/h6H,2-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyLNBDRNIOPIWICL-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.72
Rot. Bonds5

About 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (PubChem CID 62039663) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
PubChem CID62039663
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-7-8(6-15-16-7)3-2-4-14-9(17)5-10(11,12)13/h6H,2-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyLNBDRNIOPIWICL-UHFFFAOYSA-N
XLogP1.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (CID 62039663) is 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is Cc1[nH]ncc1CCCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The InChIKey is LNBDRNIOPIWICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7-8(6-15-16-7)3-2-4-14-9(17)5-10(11,12)13/h6H,2-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide has a molecular weight of 249.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 62039663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).