(4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone

C9H9BrN4O — CID 844781

IUPAC(4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone
SMILESCc1c(Br)c(C(=O)n2cccn2)nn1C
InChIInChI=1S/C9H9BrN4O/c1-6-7(10)8(12-13(6)2)9(15)14-5-3-4-11-14/h3-5H,1-2H3
InChIKeyNVTQBLXGOGEQAM-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.38
Rot. Bonds1

About (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone

(4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone (PubChem CID 844781) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone
PubChem CID844781
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name(4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone
SMILESCc1c(Br)c(C(=O)n2cccn2)nn1C
InChIInChI=1S/C9H9BrN4O/c1-6-7(10)8(12-13(6)2)9(15)14-5-3-4-11-14/h3-5H,1-2H3
InChIKeyNVTQBLXGOGEQAM-UHFFFAOYSA-N
XLogP1.38
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
(4-bromo-1-methyl-1H-pyrazol-3-yl)(4-bromo-1H-pyrazol-1-yl)methanone
CID 699658
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(4-chloro-1-methylpyrazol-3-yl)methanone
CID 777550
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
N-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]-N,1,3-trimethyl-1H-pyrazole-5-carboxamide
CID 19575943
(3,5-Dimethylpyrazol-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 671788
1-methyl-5-(1H-pyrazol-1-ylcarbonyl)-3-(trifluoromethyl)-1H-pyrazole
CID 844640
Pyrazole, 1-methyl-5-(1-pyrazolylcarbonyl)-
CID 573254
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(1-methyl-1H-pyrazol-5-yl)methanone
CID 777552
(4-bromo-1H-pyrazol-1-yl)(4-iodo-1-methyl-1H-pyrazol-3-yl)methanone
CID 1043163

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone (CID 844781) is (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone is Cc1c(Br)c(C(=O)n2cccn2)nn1C.
What is the InChIKey of (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The InChIKey is NVTQBLXGOGEQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-6-7(10)8(12-13(6)2)9(15)14-5-3-4-11-14/h3-5H,1-2H3.
What are the key properties of (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone?
(4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone has a molecular weight of 269.10 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,5-dimethylpyrazol-3-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 844781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).