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

C11H13N5O3 — CID 832013

IUPAC(3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)n1nc(C)cc1C
InChIInChI=1S/C11H13N5O3/c1-4-14-10(9(6-12-14)16(18)19)11(17)15-8(3)5-7(2)13-15/h5-6H,4H2,1-3H3
InChIKeyAXDFLVHBQVEESJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.31
Rot. Bonds3

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

(3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone (PubChem CID 832013) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone
PubChem CID832013
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)n1nc(C)cc1C
InChIInChI=1S/C11H13N5O3/c1-4-14-10(9(6-12-14)16(18)19)11(17)15-8(3)5-7(2)13-15/h5-6H,4H2,1-3H3
InChIKeyAXDFLVHBQVEESJ-UHFFFAOYSA-N
XLogP1.31
TPSA95.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.31
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
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
(3,5-Dimethylpyrazol-1-yl)-(2-methyl-4-nitropyrazol-3-yl)methanone
CID 671872
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-ethyl-4-nitropyrazol-5-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone (CID 832013) is (3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone is CCn1ncc([N+](=O)[O-])c1C(=O)n1nc(C)cc1C.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone?
The InChIKey is AXDFLVHBQVEESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-4-14-10(9(6-12-14)16(18)19)11(17)15-8(3)5-7(2)13-15/h5-6H,4H2,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(1-ethyl-4-nitropyrazol-5-yl)methanone has a molecular weight of 263.26 g/mol, XLogP of 1.31, 3 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-ethyl-4-nitropyrazol-5-yl)methanone is sourced from PubChem (CID 832013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).