N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C27H30FN5O2 — CID 47067729

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C27H30FN5O2/c1-32-16-14-29-26(32)19-35-24-12-10-20(11-13-24)27(34)33(2)15-5-3-4-9-23-18-25(31-30-23)21-7-6-8-22(28)17-21/h6-8,10-14,16-18H,3-5,9,15,19H2,1-2H3,(H,30,31)
InChIKeyRFGQBQZGKLXZOQ-UHFFFAOYSA-N
MW475.57 g/mol
LogP5.01
Rot. Bonds11

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 47067729) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID47067729
Molecular FormulaC27H30FN5O2
Molecular Weight475.57 g/mol
Exact Mass475.24
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C27H30FN5O2/c1-32-16-14-29-26(32)19-35-24-12-10-20(11-13-24)27(34)33(2)15-5-3-4-9-23-18-25(31-30-23)21-7-6-8-22(28)17-21/h6-8,10-14,16-18H,3-5,9,15,19H2,1-2H3,(H,30,31)
InChIKeyRFGQBQZGKLXZOQ-UHFFFAOYSA-N
XLogP5.01
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.01
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-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 47067729) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is RFGQBQZGKLXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O2/c1-32-16-14-29-26(32)19-35-24-12-10-20(11-13-24)27(34)33(2)15-5-3-4-9-23-18-25(31-30-23)21-7-6-8-22(28)17-21/h6-8,10-14,16-18H,3-5,9,15,19H2,1-2H3,(H,30,31).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 475.57 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 47067729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).