N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide

C9H8F7N3O — CID 4771028

IUPACN-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCc1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cnn1C
InChIInChI=1S/C9H8F7N3O/c1-4-5(3-17-19(4)2)18-6(20)7(10,11)8(12,13)9(14,15)16/h3H,1-2H3,(H,18,20)
InChIKeyHPVGUGXCSGFWDU-UHFFFAOYSA-N
MW307.17 g/mol
LogP2.50
Rot. Bonds3

About N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 4771028) has the molecular formula C9H8F7N3O and a molecular weight of 307.17 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID4771028
Molecular FormulaC9H8F7N3O
Molecular Weight307.17 g/mol
Exact Mass307.06
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCc1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cnn1C
InChIInChI=1S/C9H8F7N3O/c1-4-5(3-17-19(4)2)18-6(20)7(10,11)8(12,13)9(14,15)16/h3H,1-2H3,(H,18,20)
InChIKeyHPVGUGXCSGFWDU-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)acetamide
CID 6485359
3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 19619547
1-butyl-5-methyl-1H-pyrazol-4-amine
CID 19620093
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 69281513
1-(2-fluoroethyl)-5-methyl-1H-pyrazol-4-amine
CID 69281649
5-(difluoromethyl)-1-methyl-1H-pyrazol-4-amine hydrochloride
CID 71757376
1-(difluoromethyl)-3-methyl-1H-pyrazol-4-amine hydrochloride
CID 90482916
1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-4-amine
CID 137698864
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
N-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]-3-sulfanylpropanamide
CID 177680898
N-[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]-3-sulfanylpropanamide
CID 177680960
5-(difluoromethyl)-1-(2-methylpropyl)-1H-pyrazol-4-amine hydrochloride
CID 71757423

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 4771028) is N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide is Cc1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is HPVGUGXCSGFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F7N3O/c1-4-5(3-17-19(4)2)18-6(20)7(10,11)8(12,13)9(14,15)16/h3H,1-2H3,(H,18,20).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 307.17 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 4771028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).