3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide

C13H12F3N3O — CID 2313220

IUPAC3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CC(F)(F)F)n(-c2ccccc2)n1
InChIInChI=1S/C13H12F3N3O/c1-9-7-11(17-12(20)8-13(14,15)16)19(18-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,20)
InChIKeyVMEQMOWKSWYWFT-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.07
Rot. Bonds3

About 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide

3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide (PubChem CID 2313220) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide
PubChem CID2313220
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CC(F)(F)F)n(-c2ccccc2)n1
InChIInChI=1S/C13H12F3N3O/c1-9-7-11(17-12(20)8-13(14,15)16)19(18-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,20)
InChIKeyVMEQMOWKSWYWFT-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
ML297
CID 56642816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
methyl N-(5-methyl-1-phenyl-1H-pyrazol-3-yl)carbamate
CID 2726215
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-(1-Phenyl-1H-pyrazol-3-yl)acetamide
CID 594242
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
2-cyano-N-[3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]acetamide
CID 2440126
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 2380354
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-phenylurea
CID 2818791
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4335648

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide (CID 2313220) is 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide is Cc1cc(NC(=O)CC(F)(F)F)n(-c2ccccc2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide?
The InChIKey is VMEQMOWKSWYWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-9-7-11(17-12(20)8-13(14,15)16)19(18-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide?
3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide has a molecular weight of 283.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(5-methyl-2-phenylpyrazol-3-yl)propanamide is sourced from PubChem (CID 2313220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).