3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole

C9H11N5O2 — CID 534075

IUPAC3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole
SMILESCc1cc(C)n(-c2n[nH]c(C)c2[N+](=O)[O-])n1
InChIInChI=1S/C9H11N5O2/c1-5-4-6(2)13(12-5)9-8(14(15)16)7(3)10-11-9/h4H,1-3H3,(H,10,11)
InChIKeyFDXAMFDRAQZQOH-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.43
Rot. Bonds2

About 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole

3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole (PubChem CID 534075) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole
PubChem CID534075
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole
SMILESCc1cc(C)n(-c2n[nH]c(C)c2[N+](=O)[O-])n1
InChIInChI=1S/C9H11N5O2/c1-5-4-6(2)13(12-5)9-8(14(15)16)7(3)10-11-9/h4H,1-3H3,(H,10,11)
InChIKeyFDXAMFDRAQZQOH-UHFFFAOYSA-N
XLogP1.43
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole (CID 534075) is 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole is Cc1cc(C)n(-c2n[nH]c(C)c2[N+](=O)[O-])n1.
What is the InChIKey of 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole?
The InChIKey is FDXAMFDRAQZQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5-4-6(2)13(12-5)9-8(14(15)16)7(3)10-11-9/h4H,1-3H3,(H,10,11).
What are the key properties of 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole?
3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole has a molecular weight of 221.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(5-methyl-4-nitro-1H-pyrazol-3-yl)pyrazole is sourced from PubChem (CID 534075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).