4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide

C8H12BrN3O2 — CID 19266167

IUPAC4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NCCO)nn1C
InChIInChI=1S/C8H12BrN3O2/c1-5-6(9)7(11-12(5)2)8(14)10-3-4-13/h13H,3-4H2,1-2H3,(H,10,14)
InChIKeyMOPHLZUQTOFQKU-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.21
Rot. Bonds3

About 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266167) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266167
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NCCO)nn1C
InChIInChI=1S/C8H12BrN3O2/c1-5-6(9)7(11-12(5)2)8(14)10-3-4-13/h13H,3-4H2,1-2H3,(H,10,14)
InChIKeyMOPHLZUQTOFQKU-UHFFFAOYSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide (CID 19266167) is 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Br)c(C(=O)NCCO)nn1C.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MOPHLZUQTOFQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-5-6(9)7(11-12(5)2)8(14)10-3-4-13/h13H,3-4H2,1-2H3,(H,10,14).
What are the key properties of 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 262.11 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).