(3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone

C10H11N5O3 — CID 671872

IUPAC(3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone
SMILESCc1cc(C)n(C(=O)c2c([N+](=O)[O-])cnn2C)n1
InChIInChI=1S/C10H11N5O3/c1-6-4-7(2)14(12-6)10(16)9-8(15(17)18)5-11-13(9)3/h4-5H,1-3H3
InChIKeyDKVYSIUXTBAXEZ-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.83
Rot. Bonds2

About (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone

(3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone (PubChem CID 671872) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone
PubChem CID671872
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone
SMILESCc1cc(C)n(C(=O)c2c([N+](=O)[O-])cnn2C)n1
InChIInChI=1S/C10H11N5O3/c1-6-4-7(2)14(12-6)10(16)9-8(15(17)18)5-11-13(9)3/h4-5H,1-3H3
InChIKeyDKVYSIUXTBAXEZ-UHFFFAOYSA-N
XLogP0.83
TPSA95.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.83
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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Related Compounds

3,5-dimethyl-1-[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]-1H-pyrazole
CID 1504305
(3,5-Dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone
CID 832013
4-nitro-1,5-dimethyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 844675
1-ethyl-4-nitro-5-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 831955
(1-methyl-4-nitro-1H-pyrazol-3-yl)(1H-pyrazol-1-yl)methanone
CID 674662
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(1-methyl-4-nitro-1H-pyrazol-3-yl)methanone
CID 699655
1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutyl]-3,5-dimethyl-4-nitro-1H-pyrazole
CID 1509697
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-4-nitropyrazole-3-carboxamide
CID 698777
(2,5-Dimethyl-4-nitropyrazol-3-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 844737
1-ethyl-4-nitro-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 844748
4-Chloro-3,5-dimethylpyrazolyl 1-methyl-4-nitropyrazol-3-yl ketone
CID 798363

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone (CID 671872) is (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone is Cc1cc(C)n(C(=O)c2c([N+](=O)[O-])cnn2C)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone?
The InChIKey is DKVYSIUXTBAXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-6-4-7(2)14(12-6)10(16)9-8(15(17)18)5-11-13(9)3/h4-5H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone has a molecular weight of 249.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(1-methyl-4-nitropyrazol-5-yl)methanone is sourced from PubChem (CID 671872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).