4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide

C16H19BrFN3O2 — CID 91346842

IUPAC4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)n1cc(Br)cn1
InChIInChI=1S/C16H19BrFN3O2/c1-11(21-10-13(17)9-20-21)3-6-16(22)19-8-12-7-14(18)4-5-15(12)23-2/h4-5,7,9-11H,3,6,8H2,1-2H3,(H,19,22)
InChIKeyCCDRTEFPTYOPEA-UHFFFAOYSA-N
MW384.25 g/mol
LogP3.45
Rot. Bonds7

About 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide

4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide (PubChem CID 91346842) has the molecular formula C16H19BrFN3O2 and a molecular weight of 384.25 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide
PubChem CID91346842
Molecular FormulaC16H19BrFN3O2
Molecular Weight384.25 g/mol
Exact Mass383.06
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)n1cc(Br)cn1
InChIInChI=1S/C16H19BrFN3O2/c1-11(21-10-13(17)9-20-21)3-6-16(22)19-8-12-7-14(18)4-5-15(12)23-2/h4-5,7,9-11H,3,6,8H2,1-2H3,(H,19,22)
InChIKeyCCDRTEFPTYOPEA-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide (CID 91346842) is 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide is COc1ccc(F)cc1CNC(=O)CCC(C)n1cc(Br)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide?
The InChIKey is CCDRTEFPTYOPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3O2/c1-11(21-10-13(17)9-20-21)3-6-16(22)19-8-12-7-14(18)4-5-15(12)23-2/h4-5,7,9-11H,3,6,8H2,1-2H3,(H,19,22).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide?
4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide has a molecular weight of 384.25 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[(5-fluoro-2-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 91346842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).