N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide

C8H10F3N3O — CID 69093087

IUPACN-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide
SMILESCCCC(=O)N(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-3-7(15)14(8(9,10)11)6-4-5-12-13-6/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyBNYXYZJJKVZKKY-UHFFFAOYSA-N
MW221.18 g/mol
LogP2.06
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide

N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide (PubChem CID 69093087) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide
PubChem CID69093087
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide
SMILESCCCC(=O)N(c1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-2-3-7(15)14(8(9,10)11)6-4-5-12-13-6/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyBNYXYZJJKVZKKY-UHFFFAOYSA-N
XLogP2.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1H-pyrazol-3-yl)pyrrolidin-2-one
CID 20224832
3-Acetylaminopyrazole
CID 2777527
2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide
CID 61394305
N-(1H-pyrazol-3-yl)but-2-ynamide hydrochloride
CID 155820323
Diacetylaminopyrazole
CID 129816627
4,4,4-Trifluoro-3-oxo-N-1H-pyrazol-3-ylbutanamide
CID 13359223
3,3,3-trifluoro-N,2-dimethyl-N-(1H-pyrazol-5-yl)propanamide
CID 69093089
3-methyl-1-(1H-pyrazol-5-yl)-1-(trifluoromethyl)urea
CID 69096370
1-methyl-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)urea
CID 69096371
N-[1-(difluoromethyl)pyrazol-3-yl]propanamide
CID 140163494
N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]propanamide
CID 140163502
1-(1H-pyrazol-5-yl)-1-(trifluoromethyl)urea
CID 152735388

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide (CID 69093087) is N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide is CCCC(=O)N(c1ccn[nH]1)C(F)(F)F.
What is the InChIKey of N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide?
The InChIKey is BNYXYZJJKVZKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-3-7(15)14(8(9,10)11)6-4-5-12-13-6/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide?
N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide has a molecular weight of 221.18 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-N-(trifluoromethyl)butanamide is sourced from PubChem (CID 69093087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).