(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide

C14H18N6O3 — CID 19281888

IUPAC(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCCn2cc([N+](=O)[O-])cn2)c1C
InChIInChI=1S/C14H18N6O3/c1-3-19-11(2)12(8-17-19)4-5-14(21)15-6-7-18-10-13(9-16-18)20(22)23/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,21)/b5-4+
InChIKeySCQAQFOYIZIHTD-SNAWJCMRSA-N
MW318.34 g/mol
LogP1.15
Rot. Bonds7

About (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide

(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide (PubChem CID 19281888) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide
PubChem CID19281888
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCCn2cc([N+](=O)[O-])cn2)c1C
InChIInChI=1S/C14H18N6O3/c1-3-19-11(2)12(8-17-19)4-5-14(21)15-6-7-18-10-13(9-16-18)20(22)23/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,21)/b5-4+
InChIKeySCQAQFOYIZIHTD-SNAWJCMRSA-N
XLogP1.15
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19330190
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
CID 19281768
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide
CID 19466720
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19575645
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-1-(2-nitrophenyl)prop-2-en-1-one
CID 19561011
3,4-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281829
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-nitropyrazol-1-yl)ethyl]propanamide
CID 19281774
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562469
4-methoxy-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19574736
4-nitro-1-octylpyrazole
CID 50999936
2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide (CID 19281888) is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide is CCn1ncc(/C=C/C(=O)NCCn2cc([N+](=O)[O-])cn2)c1C.
What is the InChIKey of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide?
The InChIKey is SCQAQFOYIZIHTD-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-3-19-11(2)12(8-17-19)4-5-14(21)15-6-7-18-10-13(9-16-18)20(22)23/h4-5,8-10H,3,6-7H2,1-2H3,(H,15,21)/b5-4+.
What are the key properties of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide?
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide has a molecular weight of 318.34 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 19281888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).