2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine

C10H7N7O4 — CID 2218339

IUPAC2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc2c1[N+](=O)[O-]
InChIInChI=1S/C10H7N7O4/c1-5-9(17(20)21)10-11-2-6(4-15(10)14-5)8-7(16(18)19)3-12-13-8/h2-4H,1H3,(H,12,13)
InChIKeyLWXWECRXCMLYDI-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine

2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2218339) has the molecular formula C10H7N7O4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID2218339
Molecular FormulaC10H7N7O4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc2c1[N+](=O)[O-]
InChIInChI=1S/C10H7N7O4/c1-5-9(17(20)21)10-11-2-6(4-15(10)14-5)8-7(16(18)19)3-12-13-8/h2-4H,1H3,(H,12,13)
InChIKeyLWXWECRXCMLYDI-UHFFFAOYSA-N
XLogP1.24
TPSA145.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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Related Compounds

2-methyl-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2982457
6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 794529
5-chloro-4-nitro-1H-pyrazole
CID 18769507
2-(4-nitro-1H-pyrazol-5-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583179
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479545
4-nitro-5-pentan-2-yl-1H-pyrazole
CID 165474911
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629995
5-(2,4-dichloro-5-fluorophenyl)-4-nitro-1H-pyrazole
CID 61394838
2-methyl-2-(3-methyl-4-nitropyrazol-1-yl)propane-1,3-diol
CID 90010688
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-1H-pyrazol-5-amine
CID 4767618
2-methyl-N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79490632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine (CID 2218339) is 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine is Cc1nn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc2c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is LWXWECRXCMLYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7O4/c1-5-9(17(20)21)10-11-2-6(4-15(10)14-5)8-7(16(18)19)3-12-13-8/h2-4H,1H3,(H,12,13).
What are the key properties of 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine?
2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 289.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-6-(4-nitro-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2218339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).