1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide

C15H22N6O3 — CID 19575550

IUPAC1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2c([N+](=O)[O-])cnn2CC)c1C
InChIInChI=1S/C15H22N6O3/c1-6-19-11(4)12(10(3)17-19)9-18(5)15(22)14-13(21(23)24)8-16-20(14)7-2/h8H,6-7,9H2,1-5H3
InChIKeyQZQCBIMPWHPCDL-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.92
Rot. Bonds6

About 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide

1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide (PubChem CID 19575550) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide
PubChem CID19575550
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC Name1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2c([N+](=O)[O-])cnn2CC)c1C
InChIInChI=1S/C15H22N6O3/c1-6-19-11(4)12(10(3)17-19)9-18(5)15(22)14-13(21(23)24)8-16-20(14)7-2/h8H,6-7,9H2,1-5H3
InChIKeyQZQCBIMPWHPCDL-UHFFFAOYSA-N
XLogP1.92
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.92
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

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-5-carboxamide
CID 19507703
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitrobenzamide
CID 19454073
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 19453940
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19558308
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19575675
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19453921
4-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454035
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethyl-4-nitropyrazole-3-carboxamide
CID 4769593
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19454034
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxy-N-methylbenzamide
CID 19454037
(E)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 19456541
4-chloro-1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19575158

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide (CID 19575550) is 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide is CCn1nc(C)c(CN(C)C(=O)c2c([N+](=O)[O-])cnn2CC)c1C.
What is the InChIKey of 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide?
The InChIKey is QZQCBIMPWHPCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-6-19-11(4)12(10(3)17-19)9-18(5)15(22)14-13(21(23)24)8-16-20(14)7-2/h8H,6-7,9H2,1-5H3.
What are the key properties of 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide?
1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19575550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).