5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole

C10H13N5O2 — CID 55240161

IUPAC5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole
SMILESCc1cc(C)n(-c2c([N+](=O)[O-])c(C)nn2C)n1
InChIInChI=1S/C10H13N5O2/c1-6-5-7(2)14(11-6)10-9(15(16)17)8(3)12-13(10)4/h5H,1-4H3
InChIKeyNGYVGZGARQDKRQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.44
Rot. Bonds2

About 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole

5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole (PubChem CID 55240161) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole
PubChem CID55240161
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole
SMILESCc1cc(C)n(-c2c([N+](=O)[O-])c(C)nn2C)n1
InChIInChI=1S/C10H13N5O2/c1-6-5-7(2)14(11-6)10-9(15(16)17)8(3)12-13(10)4/h5H,1-4H3
InChIKeyNGYVGZGARQDKRQ-UHFFFAOYSA-N
XLogP1.44
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole (CID 55240161) is 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole is Cc1cc(C)n(-c2c([N+](=O)[O-])c(C)nn2C)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole?
The InChIKey is NGYVGZGARQDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-5-7(2)14(11-6)10-9(15(16)17)8(3)12-13(10)4/h5H,1-4H3.
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole?
5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole has a molecular weight of 235.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-4-nitropyrazole is sourced from PubChem (CID 55240161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).