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

C8H7F3N4O — CID 79504505

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
SMILESCn1ncc(C#N)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H7F3N4O/c1-15-7(5(3-12)4-13-15)14-6(16)2-8(9,10)11/h4H,2H2,1H3,(H,14,16)
InChIKeyVQYPKSQJNFJGRW-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.18
Rot. Bonds2

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

N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide (PubChem CID 79504505) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
PubChem CID79504505
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide
SMILESCn1ncc(C#N)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C8H7F3N4O/c1-15-7(5(3-12)4-13-15)14-6(16)2-8(9,10)11/h4H,2H2,1H3,(H,14,16)
InChIKeyVQYPKSQJNFJGRW-UHFFFAOYSA-N
XLogP1.18
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide (CID 79504505) is N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide is Cn1ncc(C#N)c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide?
The InChIKey is VQYPKSQJNFJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c1-15-7(5(3-12)4-13-15)14-6(16)2-8(9,10)11/h4H,2H2,1H3,(H,14,16).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide has a molecular weight of 232.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 79504505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).