5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile

C9H6ClN5 — CID 103294428

IUPAC5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
SMILESCc1nn(-c2cccnn2)c(Cl)c1C#N
InChIInChI=1S/C9H6ClN5/c1-6-7(5-11)9(10)15(14-6)8-3-2-4-12-13-8/h2-4H,1H3
InChIKeyGUHGYZKNYOTEKJ-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.50
Rot. Bonds1

About 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile

5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile (PubChem CID 103294428) has the molecular formula C9H6ClN5 and a molecular weight of 219.64 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
PubChem CID103294428
Molecular FormulaC9H6ClN5
Molecular Weight219.64 g/mol
Exact Mass219.03
IUPAC Name5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
SMILESCc1nn(-c2cccnn2)c(Cl)c1C#N
InChIInChI=1S/C9H6ClN5/c1-6-7(5-11)9(10)15(14-6)8-3-2-4-12-13-8/h2-4H,1H3
InChIKeyGUHGYZKNYOTEKJ-UHFFFAOYSA-N
XLogP1.50
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
CID 103294464
3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 165493587
5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile
CID 16767663
5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294118
4,5-dimethyl-2-pyridazin-3-ylpyrazol-3-amine
CID 103294294
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine
CID 103294273
3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292
5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 103294248
5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride
CID 103294611
1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
CID 116647231
5-chloro-1-(2-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 55235580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile (CID 103294428) is 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile is Cc1nn(-c2cccnn2)c(Cl)c1C#N.
What is the InChIKey of 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The InChIKey is GUHGYZKNYOTEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5/c1-6-7(5-11)9(10)15(14-6)8-3-2-4-12-13-8/h2-4H,1H3.
What are the key properties of 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile?
5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile has a molecular weight of 219.64 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 103294428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).