5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile

C10H10N6O2 — CID 6425772

IUPAC5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2c(C#N)cnn2C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O2/c1-6-9(16(17)18)7(2)15(13-6)10-8(4-11)5-12-14(10)3/h5H,1-3H3
InChIKeyZXAQINZGQICNPE-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.00
Rot. Bonds2

About 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile

5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile (PubChem CID 6425772) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile
PubChem CID6425772
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile
SMILESCc1nn(-c2c(C#N)cnn2C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N6O2/c1-6-9(16(17)18)7(2)15(13-6)10-8(4-11)5-12-14(10)3/h5H,1-3H3
InChIKeyZXAQINZGQICNPE-UHFFFAOYSA-N
XLogP1.00
TPSA102.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile (CID 6425772) is 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile is Cc1nn(-c2c(C#N)cnn2C)c(C)c1[N+](=O)[O-].
What is the InChIKey of 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile?
The InChIKey is ZXAQINZGQICNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-6-9(16(17)18)7(2)15(13-6)10-8(4-11)5-12-14(10)3/h5H,1-3H3.
What are the key properties of 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile?
5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile has a molecular weight of 246.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 6425772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).