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

C9H7N5 — CID 165493587

IUPAC3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
SMILESCc1nn(-c2cccnn2)cc1C#N
InChIInChI=1S/C9H7N5/c1-7-8(5-10)6-14(13-7)9-3-2-4-11-12-9/h2-4,6H,1H3
InChIKeyULBVPNSEMIYODU-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.84
Rot. Bonds1

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

3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile (PubChem CID 165493587) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
PubChem CID165493587
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
SMILESCc1nn(-c2cccnn2)cc1C#N
InChIInChI=1S/C9H7N5/c1-7-8(5-10)6-14(13-7)9-3-2-4-11-12-9/h2-4,6H,1H3
InChIKeyULBVPNSEMIYODU-UHFFFAOYSA-N
XLogP0.84
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294428
1-(4-bromophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545295
3-(tetrazol-1-yl)pyridazine
CID 121305986
N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide
CID 12522114
3-[3-(2-methylpropyl)pyrazol-1-yl]pyridazine
CID 103294491
4,5-dimethyl-2-pyridazin-3-ylpyrazol-3-amine
CID 103294294
5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294118
2-[[4-[(3-methyl-1-pyridin-2-ylpyrazol-4-yl)methoxy]phenyl]methoxy]pyridine-3-carbonitrile
CID 68884540
1-methyl-4-pyridazin-3-ylpyrazole-3-carbonitrile
CID 165442021
3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
CID 103294464
5,6-dimethyl-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridazine-4-carbonitrile
CID 71933059
5-[(3,6-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 136643861

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The IUPAC name of 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile (CID 165493587) is 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The canonical SMILES for 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile is Cc1nn(-c2cccnn2)cc1C#N.
What is the InChIKey of 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile?
The InChIKey is ULBVPNSEMIYODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-7-8(5-10)6-14(13-7)9-3-2-4-11-12-9/h2-4,6H,1H3.
What are the key properties of 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile?
3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 165493587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).