N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide

C9H10F3N3O — CID 174455347

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)4-8(16)13-7-3-6(14-15-7)5-1-2-5/h3,5H,1-2,4H2,(H2,13,14,15,16)
InChIKeyCEGNMNYYYLKJKK-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.18
Rot. Bonds3

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide (PubChem CID 174455347) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide
PubChem CID174455347
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)4-8(16)13-7-3-6(14-15-7)5-1-2-5/h3,5H,1-2,4H2,(H2,13,14,15,16)
InChIKeyCEGNMNYYYLKJKK-UHFFFAOYSA-N
XLogP2.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide (CID 174455347) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide?
The InChIKey is CEGNMNYYYLKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)4-8(16)13-7-3-6(14-15-7)5-1-2-5/h3,5H,1-2,4H2,(H2,13,14,15,16).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide has a molecular weight of 233.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 174455347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).