N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide

C18H25N7O4 — CID 19585684

IUPACN-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H25N7O4/c1-3-23-10-14(17(22-23)18(27)20-13-7-5-4-6-8-13)21-16(26)11-24-12(2)15(9-19-24)25(28)29/h9-10,13H,3-8,11H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyZDTBXZCGKYBJJY-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.02
Rot. Bonds7

About N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide

N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide (PubChem CID 19585684) has the molecular formula C18H25N7O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
PubChem CID19585684
Molecular FormulaC18H25N7O4
Molecular Weight403.44 g/mol
Exact Mass403.20
IUPAC NameN-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C18H25N7O4/c1-3-23-10-14(17(22-23)18(27)20-13-7-5-4-6-8-13)21-16(26)11-24-12(2)15(9-19-24)25(28)29/h9-10,13H,3-8,11H2,1-2H3,(H,20,27)(H,21,26)
InChIKeyZDTBXZCGKYBJJY-UHFFFAOYSA-N
XLogP2.02
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19522625
2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485722
2-(5-amino-4-nitropyrazol-1-yl)-N-cyclooctylacetamide
CID 99619640
methyl 4-[[2-(4-bromo-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19517919
methyl 4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19520772
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19331347
(2S,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619004
(2R,3S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 40619006
(1S,2S,3S,4R)-3-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 40619020
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19520691
(1S,2S,3R,4S)-3-[[3-(cyclopentylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98293473
methyl 1-ethyl-4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19516093

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide (CID 19585684) is N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide?
The InChIKey is ZDTBXZCGKYBJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O4/c1-3-23-10-14(17(22-23)18(27)20-13-7-5-4-6-8-13)21-16(26)11-24-12(2)15(9-19-24)25(28)29/h9-10,13H,3-8,11H2,1-2H3,(H,20,27)(H,21,26).
What are the key properties of N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide?
N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19585684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).