N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

C26H27FN4O3 — CID 55953725

IUPACN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)CCCc1cc(-c3cccc(F)c3)n[nH]1)C2=O
InChIInChI=1S/C26H27FN4O3/c1-17-10-11-21-22(14-17)26(34)31(25(21)33)13-5-9-24(32)30(2)12-4-8-20-16-23(29-28-20)18-6-3-7-19(27)15-18/h3,6-7,10-11,14-16H,4-5,8-9,12-13H2,1-2H3,(H,28,29)
InChIKeyVGCVGWZPFZHQIN-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.99
Rot. Bonds9

About N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 55953725) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
PubChem CID55953725
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)CCCc1cc(-c3cccc(F)c3)n[nH]1)C2=O
InChIInChI=1S/C26H27FN4O3/c1-17-10-11-21-22(14-17)26(34)31(25(21)33)13-5-9-24(32)30(2)12-4-8-20-16-23(29-28-20)18-6-3-7-19(27)15-18/h3,6-7,10-11,14-16H,4-5,8-9,12-13H2,1-2H3,(H,28,29)
InChIKeyVGCVGWZPFZHQIN-UHFFFAOYSA-N
XLogP3.99
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 17582198
CID 17582198
CID 51346849
CID 51346849
CID 53324184
CID 53324184
CID 72947731
CID 72947731
CID 16022660
CID 16022660
CID 20918348
CID 20918348
CID 53324196
CID 53324196
CID 162675877
CID 162675877
CID 53324197
CID 53324197
CID 572815
CID 572815
CID 90029483
CID 90029483
CID 90029578
CID 90029578

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide (CID 55953725) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)CCCc1cc(-c3cccc(F)c3)n[nH]1)C2=O.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is VGCVGWZPFZHQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-10-11-21-22(14-17)26(34)31(25(21)33)13-5-9-24(32)30(2)12-4-8-20-16-23(29-28-20)18-6-3-7-19(27)15-18/h3,6-7,10-11,14-16H,4-5,8-9,12-13H2,1-2H3,(H,28,29).
What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide?
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 462.53 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 55953725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).