N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide

C18H20FN5O — CID 46968339

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide
SMILESCC(CC(=O)NC(c1ccc(F)cc1)c1nccn1C)n1cccn1
InChIInChI=1S/C18H20FN5O/c1-13(24-10-3-8-21-24)12-16(25)22-17(18-20-9-11-23(18)2)14-4-6-15(19)7-5-14/h3-11,13,17H,12H2,1-2H3,(H,22,25)
InChIKeySYYMBATUVISZAO-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.61
Rot. Bonds6

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide (PubChem CID 46968339) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide
PubChem CID46968339
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide
SMILESCC(CC(=O)NC(c1ccc(F)cc1)c1nccn1C)n1cccn1
InChIInChI=1S/C18H20FN5O/c1-13(24-10-3-8-21-24)12-16(25)22-17(18-20-9-11-23(18)2)14-4-6-15(19)7-5-14/h3-11,13,17H,12H2,1-2H3,(H,22,25)
InChIKeySYYMBATUVISZAO-UHFFFAOYSA-N
XLogP2.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide (CID 46968339) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide is CC(CC(=O)NC(c1ccc(F)cc1)c1nccn1C)n1cccn1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide?
The InChIKey is SYYMBATUVISZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-13(24-10-3-8-21-24)12-16(25)22-17(18-20-9-11-23(18)2)14-4-6-15(19)7-5-14/h3-11,13,17H,12H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide has a molecular weight of 341.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 46968339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).