N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide

C9H11N5O4 — CID 70610427

IUPACN-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
SMILESCN(C(N)=O)C(=O)C=Cc1cn(C)nc1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O4/c1-12-5-6(8(11-12)14(17)18)3-4-7(15)13(2)9(10)16/h3-5H,1-2H3,(H2,10,16)
InChIKeySVHDFGGCZVRAOI-UHFFFAOYSA-N
MW253.22 g/mol
LogP-0.12
Rot. Bonds3

About N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide

N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide (PubChem CID 70610427) has the molecular formula C9H11N5O4 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
PubChem CID70610427
Molecular FormulaC9H11N5O4
Molecular Weight253.22 g/mol
Exact Mass253.08
IUPAC NameN-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
SMILESCN(C(N)=O)C(=O)C=Cc1cn(C)nc1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O4/c1-12-5-6(8(11-12)14(17)18)3-4-7(15)13(2)9(10)16/h3-5H,1-2H3,(H2,10,16)
InChIKeySVHDFGGCZVRAOI-UHFFFAOYSA-N
XLogP-0.12
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)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-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 20388919
(E)-N-cyclopropyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 20388922
(E)-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 20388927
(E)-3-(1-methyl-3-nitropyrazol-4-yl)-N-(pyrrolidin-1-ylmethyl)prop-2-enamide
CID 20388933
(E)-3-(1-methyl-3-nitropyrazol-4-yl)-N-(piperidin-1-ylmethyl)prop-2-enamide
CID 20388936
(E)-3-(1-ethyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 20388939
(E)-N-hydroxy-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 20388941
(E)-N-(cyanomethyl)-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 20388948
N-(2-aminoethyl)-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 53670402
N-(cyanomethyl)-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 53677294
3-(1-Ethyl-3-nitropyrazol-4-yl)prop-2-enamide
CID 53779837
3-(1-methyl-3-nitropyrazol-4-yl)-N-propan-2-ylprop-2-enamide
CID 53832199

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide (CID 70610427) is N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide is CN(C(N)=O)C(=O)C=Cc1cn(C)nc1[N+](=O)[O-].
What is the InChIKey of N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide?
The InChIKey is SVHDFGGCZVRAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4/c1-12-5-6(8(11-12)14(17)18)3-4-7(15)13(2)9(10)16/h3-5H,1-2H3,(H2,10,16).
What are the key properties of N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide?
N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide has a molecular weight of 253.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-methyl-3-(1-methyl-3-nitropyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 70610427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).