3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

C10H8BrN5 — CID 61096462

IUPAC3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(-n2cc(Br)cn2)c(C#N)c1C
InChIInChI=1S/C10H8BrN5/c1-6-7(2)14-15-10(9(6)3-12)16-5-8(11)4-13-16/h4-5H,1-2H3
InChIKeyBXPHAKCZKWYAKY-UHFFFAOYSA-N
MW278.11 g/mol
LogP1.91
Rot. Bonds1

About 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 61096462) has the molecular formula C10H8BrN5 and a molecular weight of 278.11 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID61096462
Molecular FormulaC10H8BrN5
Molecular Weight278.11 g/mol
Exact Mass277.00
IUPAC Name3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(-n2cc(Br)cn2)c(C#N)c1C
InChIInChI=1S/C10H8BrN5/c1-6-7(2)14-15-10(9(6)3-12)16-5-8(11)4-13-16/h4-5H,1-2H3
InChIKeyBXPHAKCZKWYAKY-UHFFFAOYSA-N
XLogP1.91
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile 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

5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile
CID 55138325
5,6-dimethyl-3-(3-methylpyrazol-1-yl)pyridazine-4-carbonitrile
CID 62487429
3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090116
3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279897
2-amino-4-(4-bromopyrazol-1-yl)-6-methylsulfanylpyrimidine-5-carbonitrile
CID 18507717
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535401
3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 62487095
5,6-dimethyl-3-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyridazine-4-carbonitrile
CID 133336898
2-(4-bromopyrazol-1-yl)pyridine-3-carbonitrile
CID 61035009
6-(4-bromopyrazol-1-yl)-5-methylpyridin-3-amine
CID 62476407
5,6-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 36615863
3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 51106961

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (CID 61096462) is 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(-n2cc(Br)cn2)c(C#N)c1C.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is BXPHAKCZKWYAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5/c1-6-7(2)14-15-10(9(6)3-12)16-5-8(11)4-13-16/h4-5H,1-2H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 278.11 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 61096462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).