1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide

C11H11F3N6O3 — CID 19263231

IUPAC1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1
InChIInChI=1S/C11H11F3N6O3/c1-3-19-4-6(20(22)23)8(18-19)10(21)15-7-5(2)16-17-9(7)11(12,13)14/h4H,3H2,1-2H3,(H,15,21)(H,16,17)
InChIKeyUBFWNEDFXWGDIT-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.11
Rot. Bonds4

About 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide

1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide (PubChem CID 19263231) has the molecular formula C11H11F3N6O3 and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide
PubChem CID19263231
Molecular FormulaC11H11F3N6O3
Molecular Weight332.24 g/mol
Exact Mass332.08
IUPAC Name1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1
InChIInChI=1S/C11H11F3N6O3/c1-3-19-4-6(20(22)23)8(18-19)10(21)15-7-5(2)16-17-9(7)11(12,13)14/h4H,3H2,1-2H3,(H,15,21)(H,16,17)
InChIKeyUBFWNEDFXWGDIT-UHFFFAOYSA-N
XLogP2.11
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(3,5-Dimethyl-1-pyrazolyl)-(2-ethyl-4-nitro-3-pyrazolyl)methanone
CID 832013
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(1-methyl-4-nitro-1H-pyrazol-3-yl)methanone
CID 699655
(3,5-Dimethylpyrazol-1-yl)-(2-methyl-4-nitropyrazol-3-yl)methanone
CID 671872
4-Chloro-3,5-dimethylpyrazolyl 1-methyl-4-nitropyrazol-3-yl ketone
CID 798363
N-(1,3-dimethyl-1H-pyrazol-4-yl)-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 831427
4-chloro-1-({4-nitro-1-methyl-1H-pyrazol-5-yl}carbonyl)-3,5-dimethyl-1H-pyrazole
CID 1222419
1-methyl-4-nitro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 703689
1-(Difluoromethyl)-3,5-dimethyl-N-(4-nitro-1H-pyrazol-1-YL)-1H-pyrazole-4-carboxamide
CID 4765915
N-[5-(Aminocarbonyl)-1-methyl-1H-pyrazol-4-YL]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768469
4-({[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4770494
4-({[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4770832
1-methyl-N-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4771056

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide (CID 19263231) is 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide is CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1.
What is the InChIKey of 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide?
The InChIKey is UBFWNEDFXWGDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O3/c1-3-19-4-6(20(22)23)8(18-19)10(21)15-7-5(2)16-17-9(7)11(12,13)14/h4H,3H2,1-2H3,(H,15,21)(H,16,17).
What are the key properties of 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide?
1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide has a molecular weight of 332.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19263231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).