4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide

C14H16BrN3O2 — CID 111458599

IUPAC4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H16BrN3O2/c1-14(20,11-7-17-18(2)8-11)9-16-13(19)10-3-5-12(15)6-4-10/h3-8,20H,9H2,1-2H3,(H,16,19)
InChIKeyLZONLTZBCKWNLQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.82
Rot. Bonds4

About 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide

4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 111458599) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID111458599
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCn1cc(C(C)(O)CNC(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C14H16BrN3O2/c1-14(20,11-7-17-18(2)8-11)9-16-13(19)10-3-5-12(15)6-4-10/h3-8,20H,9H2,1-2H3,(H,16,19)
InChIKeyLZONLTZBCKWNLQ-UHFFFAOYSA-N
XLogP1.82
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dimethylbenzamide
CID 111458743
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597
N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110291647
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 111458804
5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458419
N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
CID 95776187
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 111458688

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide (CID 111458599) is 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is Cn1cc(C(C)(O)CNC(=O)c2ccc(Br)cc2)cn1.
What is the InChIKey of 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is LZONLTZBCKWNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-14(20,11-7-17-18(2)8-11)9-16-13(19)10-3-5-12(15)6-4-10/h3-8,20H,9H2,1-2H3,(H,16,19).
What are the key properties of 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide?
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 338.21 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 111458599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).