N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide

C18H24F3N5O — CID 58267437

IUPACN-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
SMILESO=C(CCCn1nc(C(F)(F)F)c2c1CCCC2)NCCCn1ccnc1
InChIInChI=1S/C18H24F3N5O/c19-18(20,21)17-14-5-1-2-6-15(14)26(24-17)11-3-7-16(27)23-8-4-10-25-12-9-22-13-25/h9,12-13H,1-8,10-11H2,(H,23,27)
InChIKeyADWYBMWTCBFFTN-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.96
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide

N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide (PubChem CID 58267437) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
PubChem CID58267437
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
SMILESO=C(CCCn1nc(C(F)(F)F)c2c1CCCC2)NCCCn1ccnc1
InChIInChI=1S/C18H24F3N5O/c19-18(20,21)17-14-5-1-2-6-15(14)26(24-17)11-3-7-16(27)23-8-4-10-25-12-9-22-13-25/h9,12-13H,1-8,10-11H2,(H,23,27)
InChIKeyADWYBMWTCBFFTN-UHFFFAOYSA-N
XLogP2.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide (CID 58267437) is N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide is O=C(CCCn1nc(C(F)(F)F)c2c1CCCC2)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide?
The InChIKey is ADWYBMWTCBFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c19-18(20,21)17-14-5-1-2-6-15(14)26(24-17)11-3-7-16(27)23-8-4-10-25-12-9-22-13-25/h9,12-13H,1-8,10-11H2,(H,23,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide?
N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide has a molecular weight of 383.42 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide is sourced from PubChem (CID 58267437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).