1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide

C17H25N7O4 — CID 19402613

IUPAC1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H25N7O4/c1-6-22-10-13(14(21-22)15(25)18-7-11(2)3)20-16(26)17(4,5)23-9-12(8-19-23)24(27)28/h8-11H,6-7H2,1-5H3,(H,18,25)(H,20,26)
InChIKeyVFAGTLQYDYXZLV-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.77
Rot. Bonds8

About 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide

1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19402613) has the molecular formula C17H25N7O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19402613
Molecular FormulaC17H25N7O4
Molecular Weight391.43 g/mol
Exact Mass391.20
IUPAC Name1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C17H25N7O4/c1-6-22-10-13(14(21-22)15(25)18-7-11(2)3)20-16(26)17(4,5)23-9-12(8-19-23)24(27)28/h8-11H,6-7H2,1-5H3,(H,18,25)(H,20,26)
InChIKeyVFAGTLQYDYXZLV-UHFFFAOYSA-N
XLogP1.77
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.77
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

propan-2-yl 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-3-carboxylate
CID 19404475
1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19522625
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402598
1-ethyl-4-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19511123
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19525036
1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19555657
1-ethyl-4-[(4-methoxy-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402551
1-ethyl-N,N-dimethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-5-carboxamide
CID 19339924
methyl 1-ethyl-4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19516093
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19402674
1-ethyl-4-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19553609
4-[[2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19529203

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19402613) is 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is VFAGTLQYDYXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O4/c1-6-22-10-13(14(21-22)15(25)18-7-11(2)3)20-16(26)17(4,5)23-9-12(8-19-23)24(27)28/h8-11H,6-7H2,1-5H3,(H,18,25)(H,20,26).
What are the key properties of 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19402613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).