4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide

C26H32N4O — CID 18415999

IUPAC4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
SMILESCCCN(CCC)CCCNC(=O)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C26H32N4O/c1-3-15-30(16-4-2)17-7-14-27-26(31)20-12-10-19(11-13-20)24-23-18-21-8-5-6-9-22(21)25(23)29-28-24/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyDSFBPILERYORIE-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.89
Rot. Bonds10

About 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide

4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide (PubChem CID 18415999) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
PubChem CID18415999
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
SMILESCCCN(CCC)CCCNC(=O)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C26H32N4O/c1-3-15-30(16-4-2)17-7-14-27-26(31)20-12-10-19(11-13-20)24-23-18-21-8-5-6-9-22(21)25(23)29-28-24/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyDSFBPILERYORIE-UHFFFAOYSA-N
XLogP4.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
N-(2,5-dichloropentyl)-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415821
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]benzamide
CID 18415776
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-4-fluorobenzamide
CID 18415800
ethyl 3-[[4-(1,4-dihydrochromeno[3,4-d]pyrazol-3-yl)benzoyl]amino]propanoate
CID 91634471
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide
CID 46091725
N-[3-(dibutylamino)propyl]-4-[4-[3-(dibutylamino)propylcarbamoyl]phenyl]benzamide
CID 139954581
N-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]-3-methylbutanamide
CID 18415804
4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 46091982
N-[3-[heptyl(octyl)amino]propyl]-4-[4-[3-[heptyl(octyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139954884
CID 57297707
CID 57297707
N-[3-[heptyl(hexyl)amino]propyl]-4-[4-[3-[heptyl(hexyl)amino]propylcarbamoyl]phenyl]benzamide
CID 139955686

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide?
The IUPAC name of 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide (CID 18415999) is 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide.
What is the SMILES notation for 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide?
The canonical SMILES for 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide is CCCN(CCC)CCCNC(=O)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide?
The InChIKey is DSFBPILERYORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-3-15-30(16-4-2)17-7-14-27-26(31)20-12-10-19(11-13-20)24-23-18-21-8-5-6-9-22(21)25(23)29-28-24/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide?
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide has a molecular weight of 416.57 g/mol, XLogP of 4.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide is sourced from PubChem (CID 18415999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).