N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide

C18H19F2N3O — CID 121139208

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2N3O/c19-13-5-6-14(15(20)9-13)18(24)21-7-8-23-17(12-3-4-12)10-16(22-23)11-1-2-11/h5-6,9-12H,1-4,7-8H2,(H,21,24)
InChIKeyQOSBNJMVUKDKHV-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.35
Rot. Bonds6

About N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide (PubChem CID 121139208) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
PubChem CID121139208
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H19F2N3O/c19-13-5-6-14(15(20)9-13)18(24)21-7-8-23-17(12-3-4-12)10-16(22-23)11-1-2-11/h5-6,9-12H,1-4,7-8H2,(H,21,24)
InChIKeyQOSBNJMVUKDKHV-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121139229
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121139270
2,4-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280389
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,2-diphenylacetamide
CID 121139309
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
1-benzhydryl-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 72718802
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
CID 121139470
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614470
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide (CID 121139208) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide is O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide?
The InChIKey is QOSBNJMVUKDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-13-5-6-14(15(20)9-13)18(24)21-7-8-23-17(12-3-4-12)10-16(22-23)11-1-2-11/h5-6,9-12H,1-4,7-8H2,(H,21,24).
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide has a molecular weight of 331.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 121139208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).