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

C11H13N5O3 — CID 844737

IUPAC(1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2c([N+](=O)[O-])c(C)nn2C)n1
InChIInChI=1S/C11H13N5O3/c1-6-5-7(2)15(12-6)11(17)10-9(16(18)19)8(3)13-14(10)4/h5H,1-4H3
InChIKeyVSBWMBVDBVSDIQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.14
Rot. Bonds2

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

(1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 844737) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID844737
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name(1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2c([N+](=O)[O-])c(C)nn2C)n1
InChIInChI=1S/C11H13N5O3/c1-6-5-7(2)15(12-6)11(17)10-9(16(18)19)8(3)13-14(10)4/h5H,1-4H3
InChIKeyVSBWMBVDBVSDIQ-UHFFFAOYSA-N
XLogP1.14
TPSA95.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.14
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-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone
CID 832013
4-nitro-1,5-dimethyl-3-(1-pyrrolidinylcarbonyl)-1H-pyrazole
CID 844675
(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
(3,5-Dimethylpyrazol-1-yl)-(2-methyl-4-nitropyrazol-3-yl)methanone
CID 671872
4-Chloro-3,5-dimethylpyrazolyl 1-methyl-4-nitropyrazol-3-yl ketone
CID 798363
(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 844741
2,7-Dimethyl-3,8-dinitro-4H,9H-dipyrazolo(1,5-A:1',5'-D)pyrazine-4,9-dione
CID 337107
4-chloro-1-({4-nitro-1-methyl-1H-pyrazol-5-yl}carbonyl)-3,5-dimethyl-1H-pyrazole
CID 1222419
N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35527826
1-methyl-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 703689

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 844737) is (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2c([N+](=O)[O-])c(C)nn2C)n1.
What is the InChIKey of (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is VSBWMBVDBVSDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-6-5-7(2)15(12-6)11(17)10-9(16(18)19)8(3)13-14(10)4/h5H,1-4H3.
What are the key properties of (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
(1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 263.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-4-nitropyrazol-5-yl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 844737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).