N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide

C10H13ClF3N3O — CID 91795195

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCCCn1cc(Cl)cn1
InChIInChI=1S/C10H13ClF3N3O/c11-8-6-16-17(7-8)5-1-4-15-9(18)2-3-10(12,13)14/h6-7H,1-5H2,(H,15,18)
InChIKeyWKDXRHDORJDVPI-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.39
Rot. Bonds6

About N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide

N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide (PubChem CID 91795195) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide
PubChem CID91795195
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NCCCn1cc(Cl)cn1
InChIInChI=1S/C10H13ClF3N3O/c11-8-6-16-17(7-8)5-1-4-15-9(18)2-3-10(12,13)14/h6-7H,1-5H2,(H,15,18)
InChIKeyWKDXRHDORJDVPI-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S*,2R*)-2-aminocyclobutyl]-3-(4-chloro-1H-pyrazol-1-yl)propanamide
CID 56903276
2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
CID 163220331
2-(4-chloropyrazol-1-yl)-N-(4,4-difluorobut-3-enyl)acetamide
CID 163220333
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 176959961
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4620639
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19282854
N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19283453
N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19283458
N-[(1-ethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 19290654
2,2,2-trifluoro-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19292380
2,2,3,3,4,4,4-heptafluoro-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 19292381
N-[3-(4-bromopyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19297551

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide (CID 91795195) is N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NCCCn1cc(Cl)cn1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide?
The InChIKey is WKDXRHDORJDVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c11-8-6-16-17(7-8)5-1-4-15-9(18)2-3-10(12,13)14/h6-7H,1-5H2,(H,15,18).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide has a molecular weight of 283.68 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 91795195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).