N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H17F3N4O — CID 78960608

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1[nH]ncc1CCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-8-9(5-17-18-8)3-2-4-16-10(19)6-15-7-11(12,13)14/h5,15H,2-4,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyNHYFSYYCIJOTCT-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.92
Rot. Bonds7

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78960608) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78960608
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1[nH]ncc1CCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-8-9(5-17-18-8)3-2-4-16-10(19)6-15-7-11(12,13)14/h5,15H,2-4,6-7H2,1H3,(H,16,19)(H,17,18)
InChIKeyNHYFSYYCIJOTCT-UHFFFAOYSA-N
XLogP0.92
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78960608) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1[nH]ncc1CCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is NHYFSYYCIJOTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-8-9(5-17-18-8)3-2-4-16-10(19)6-15-7-11(12,13)14/h5,15H,2-4,6-7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 278.28 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78960608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).