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

C8H12BrN3O2 — CID 19480388

IUPAC4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCO)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-5-6(9)7(12(2)11-5)8(14)10-3-4-13/h13H,3-4H2,1-2H3,(H,10,14)
InChIKeyIPXBJBIRIFMOHM-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.21
Rot. Bonds3

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

4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19480388) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19480388
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCO)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-5-6(9)7(12(2)11-5)8(14)10-3-4-13/h13H,3-4H2,1-2H3,(H,10,14)
InChIKeyIPXBJBIRIFMOHM-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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Related Compounds

4-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]butanoyl chloride
CID 19480401
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524
4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480556
4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 4771153
4-bromo-1,3-dimethyl-N-pyridin-4-ylpyrazole-5-carboxamide
CID 19480353
ethyl (2R)-2-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)amino]-3-sulfanylpropanoate
CID 19480403
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
5-amino-N-(2-hydroxyethyl)-3-methylimidazole-4-carboxamide
CID 23938023
5-amino-N-(2-hydroxyethyl)-2,3-dimethylimidazole-4-carboxamide
CID 86767708
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide (CID 19480388) is 4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCO)c1Br.
What is the InChIKey of 4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is IPXBJBIRIFMOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-5-6(9)7(12(2)11-5)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)-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-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)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19480388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).