1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide

C13H17N7O4 — CID 19398313

IUPAC1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C13H17N7O4/c1-3-5-14-12(21)10-8(7-19(4-2)18-10)16-13(22)11-9(20(23)24)6-15-17-11/h6-7H,3-5H2,1-2H3,(H,14,21)(H,15,17)(H,16,22)
InChIKeyLZZKAZXARYJLKH-UHFFFAOYSA-N
MW335.32 g/mol
LogP0.93
Rot. Bonds7

About 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide

1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide (PubChem CID 19398313) has the molecular formula C13H17N7O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide
PubChem CID19398313
Molecular FormulaC13H17N7O4
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Name1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C13H17N7O4/c1-3-5-14-12(21)10-8(7-19(4-2)18-10)16-13(22)11-9(20(23)24)6-15-17-11/h6-7H,3-5H2,1-2H3,(H,14,21)(H,15,17)(H,16,22)
InChIKeyLZZKAZXARYJLKH-UHFFFAOYSA-N
XLogP0.93
TPSA147.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
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-hexyl-4-nitro-1H-pyrazole-5-carboxamide
CID 2840083
1-ethyl-4-(2-oxopropanoylamino)-N-propylpyrazole-3-carboxamide
CID 19400133
4-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19479345
1-ethyl-4-[[3-[(4-methyl-2-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398503
5-[[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494328
1-ethyl-4-[[3-[(3-methyl-4-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398428
1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19511123
4-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398520
1-methyl-4-nitro-N-propylpyrazole-3-carboxamide
CID 4592977
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-propylpyrazole-3-carboxamide
CID 19398463
4-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19511407
4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398392

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide (CID 19398313) is 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide?
The InChIKey is LZZKAZXARYJLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O4/c1-3-5-14-12(21)10-8(7-19(4-2)18-10)16-13(22)11-9(20(23)24)6-15-17-11/h6-7H,3-5H2,1-2H3,(H,14,21)(H,15,17)(H,16,22).
What are the key properties of 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide?
1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19398313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).