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

C16H23N7O4 — CID 19522625

IUPAC1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H23N7O4/c1-5-21-8-12(15(20-21)16(25)17-6-10(2)3)19-14(24)9-22-11(4)13(7-18-22)23(26)27/h7-8,10H,5-6,9H2,1-4H3,(H,17,25)(H,19,24)
InChIKeyFTSJASZOWYAPLG-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.34
Rot. Bonds8

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

1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19522625) has the molecular formula C16H23N7O4 and a molecular weight of 377.41 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19522625
Molecular FormulaC16H23N7O4
Molecular Weight377.41 g/mol
Exact Mass377.18
IUPAC Name1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C16H23N7O4/c1-5-21-8-12(15(20-21)16(25)17-6-10(2)3)19-14(24)9-22-11(4)13(7-18-22)23(26)27/h7-8,10H,5-6,9H2,1-4H3,(H,17,25)(H,19,24)
InChIKeyFTSJASZOWYAPLG-UHFFFAOYSA-N
XLogP1.34
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.34
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

N-cyclohexyl-1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
CID 19585684
4-[[2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19529203
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19525036
4-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19517614
1-ethyl-4-[[2-methyl-2-(4-nitropyrazol-1-yl)propanoyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402613
4-[[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19526247
1-ethyl-4-[(4-methoxy-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402551
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19331347
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402564
1-ethyl-N-(2-methylpropyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570015
1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide
CID 19476369
1-ethyl-4-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19553609

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19522625) is 1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is FTSJASZOWYAPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O4/c1-5-21-8-12(15(20-21)16(25)17-6-10(2)3)19-14(24)9-22-11(4)13(7-18-22)23(26)27/h7-8,10H,5-6,9H2,1-4H3,(H,17,25)(H,19,24).
What are the key properties of 1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide?
1-ethyl-4-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 1.34, 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-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19522625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).