N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide

C7H8F3N3O — CID 60703799

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide
SMILESCc1n[nH]c(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-3-5(4(2)13-12-3)11-6(14)7(8,9)10/h1-2H3,(H,11,14)(H,12,13)
InChIKeyAZWHFYJFKNMLRB-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.53
Rot. Bonds1

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 60703799) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide
PubChem CID60703799
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide
SMILESCc1n[nH]c(C)c1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-3-5(4(2)13-12-3)11-6(14)7(8,9)10/h1-2H3,(H,11,14)(H,12,13)
InChIKeyAZWHFYJFKNMLRB-UHFFFAOYSA-N
XLogP1.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide (CID 60703799) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide is Cc1n[nH]c(C)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is AZWHFYJFKNMLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-3-5(4(2)13-12-3)11-6(14)7(8,9)10/h1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 207.15 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 60703799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).