2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide

C7H7F4N3O — CID 103733843

IUPAC2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H7F4N3O/c1-3-2-12-14-4(3)13-6(15)7(10,11)5(8)9/h2,5H,1H3,(H2,12,13,14,15)
InChIKeyWPDYAVOJSOVABH-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.56
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide

2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide (PubChem CID 103733843) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide
PubChem CID103733843
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H7F4N3O/c1-3-2-12-14-4(3)13-6(15)7(10,11)5(8)9/h2,5H,1H3,(H2,12,13,14,15)
InChIKeyWPDYAVOJSOVABH-UHFFFAOYSA-N
XLogP1.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)acetamide
CID 353942
2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide
CID 61394305
N-(4-Bromo-1H-pyrazol-3-yl)acetamide
CID 57418483
(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
CID 164642746
N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
CID 121254681
4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine
CID 166703183
2,3,3-trifluoro-2-methyl-N-(1H-pyrazol-5-yl)propanamide
CID 173552076
N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide
CID 174870762
5-Acetamido-1H-pyrazole-4-carboxamide
CID 309068
3,3,3-trifluoro-N-(1H-pyrazol-5-yl)propanamide
CID 61393086
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butanamide
CID 65711769
5-(2,2,2-Trifluoroacetamido)-1H-pyrazole-4-carboxamide
CID 73553302

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide (CID 103733843) is 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide is Cc1cn[nH]c1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is WPDYAVOJSOVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c1-3-2-12-14-4(3)13-6(15)7(10,11)5(8)9/h2,5H,1H3,(H2,12,13,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 225.14 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(4-methyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 103733843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).