3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide

C8H10F3N3O — CID 69093089

IUPAC3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(C(=O)N(C)c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(8(9,10)11)7(15)14(2)6-3-4-12-13-6/h3-5H,1-2H3,(H,12,13)
InChIKeyKMTWPOCOVYIEKO-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.57
Rot. Bonds2

About 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide

3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 69093089) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide
PubChem CID69093089
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide
SMILESCC(C(=O)N(C)c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(8(9,10)11)7(15)14(2)6-3-4-12-13-6/h3-5H,1-2H3,(H,12,13)
InChIKeyKMTWPOCOVYIEKO-UHFFFAOYSA-N
XLogP1.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide (CID 69093089) is 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide is CC(C(=O)N(C)c1ccn[nH]1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is KMTWPOCOVYIEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(8(9,10)11)7(15)14(2)6-3-4-12-13-6/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide?
3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 221.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 69093089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).