N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide

C15H18N4O3 — CID 19449830

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
SMILESCCn1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1
InChIInChI=1S/C15H18N4O3/c1-4-18-8-7-13(16-18)10-17(3)15(20)12-5-6-14(19(21)22)11(2)9-12/h5-9H,4,10H2,1-3H3
InChIKeyIEYYHRXDCJCDRD-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.39
Rot. Bonds5

About N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide

N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide (PubChem CID 19449830) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
PubChem CID19449830
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide
SMILESCCn1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1
InChIInChI=1S/C15H18N4O3/c1-4-18-8-7-13(16-18)10-17(3)15(20)12-5-6-14(19(21)22)11(2)9-12/h5-9H,4,10H2,1-3H3
InChIKeyIEYYHRXDCJCDRD-UHFFFAOYSA-N
XLogP2.39
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 19515238
N-benzyl-N,3-dimethyl-4-nitrobenzamide
CID 786991
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19531270
N-methyl-3-[(3-methyl-4-nitrophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452133
4-[(2-chloro-4-nitrophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449926
N,3-dimethyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512232
3-methyl-4-nitro-N,N-dipropylbenzamide
CID 786985
N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-nitrobenzamide
CID 8964575
3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449946
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 19449951
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19452078

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide (CID 19449830) is N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide is CCn1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide?
The InChIKey is IEYYHRXDCJCDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-4-18-8-7-13(16-18)10-17(3)15(20)12-5-6-14(19(21)22)11(2)9-12/h5-9H,4,10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide?
N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide has a molecular weight of 302.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N,3-dimethyl-4-nitrobenzamide is sourced from PubChem (CID 19449830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).