N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide

C7H5F3N4O — CID 79503749

IUPACN-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
SMILESN#Cc1cn[nH]c1NC(=O)CC(F)(F)F
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)1-5(15)13-6-4(2-11)3-12-14-6/h3H,1H2,(H2,12,13,14,15)
InChIKeyRCJMPNSVSBTWAG-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.17
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide

N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide (PubChem CID 79503749) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
PubChem CID79503749
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide
SMILESN#Cc1cn[nH]c1NC(=O)CC(F)(F)F
InChIInChI=1S/C7H5F3N4O/c8-7(9,10)1-5(15)13-6-4(2-11)3-12-14-6/h3H,1H2,(H2,12,13,14,15)
InChIKeyRCJMPNSVSBTWAG-UHFFFAOYSA-N
XLogP1.17
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide (CID 79503749) is N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide is N#Cc1cn[nH]c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide?
The InChIKey is RCJMPNSVSBTWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c8-7(9,10)1-5(15)13-6-4(2-11)3-12-14-6/h3H,1H2,(H2,12,13,14,15).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide?
N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide has a molecular weight of 218.14 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 79503749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).