[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone

C15H16BrN3O2 — CID 35323260

IUPAC[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCOCC1
InChIInChI=1S/C15H16BrN3O2/c16-14-9-17-19(11-14)10-12-1-3-13(4-2-12)15(20)18-5-7-21-8-6-18/h1-4,9,11H,5-8,10H2
InChIKeyZJMBQEZEIBVJJN-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.17
Rot. Bonds3

About [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone

[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 35323260) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
PubChem CID35323260
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCOCC1
InChIInChI=1S/C15H16BrN3O2/c16-14-9-17-19(11-14)10-12-1-3-13(4-2-12)15(20)18-5-7-21-8-6-18/h1-4,9,11H,5-8,10H2
InChIKeyZJMBQEZEIBVJJN-UHFFFAOYSA-N
XLogP2.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone (CID 35323260) is [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCOCC1.
What is the InChIKey of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is ZJMBQEZEIBVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c16-14-9-17-19(11-14)10-12-1-3-13(4-2-12)15(20)18-5-7-21-8-6-18/h1-4,9,11H,5-8,10H2.
What are the key properties of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone?
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 350.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 35323260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).