2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide

C10H14N4O4 — CID 19528144

IUPAC2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1cc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C10H14N4O4/c1-4-5-11-9(15)7(2)13-6-8(14(16)17)10(12-13)18-3/h4,6-7H,1,5H2,2-3H3,(H,11,15)
InChIKeyPOEIIFFIAQIEMD-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.66
Rot. Bonds6

About 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide

2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide (PubChem CID 19528144) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide
PubChem CID19528144
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1cc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C10H14N4O4/c1-4-5-11-9(15)7(2)13-6-8(14(16)17)10(12-13)18-3/h4,6-7H,1,5H2,2-3H3,(H,11,15)
InChIKeyPOEIIFFIAQIEMD-UHFFFAOYSA-N
XLogP0.66
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-4-nitropyrazol-1-yl)-N-octadecylpropanamide
CID 19528152
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
CID 19516177
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19528180
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528404
(2R)-N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 841151
(2S)-2-(3-methoxy-4-nitropyrazol-1-yl)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1028331
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528129
N-[(1-ethyl-5-fluoropyrazol-4-yl)methylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 171131091
N-[(3,4-dichlorophenyl)methylideneamino]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 4113351
methyl 2-[[[(2R)-2-(3-methoxy-4-nitropyrazol-1-yl)propanoyl]amino]carbamoylamino]benzoate
CID 42561442
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide
CID 19528241
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 4150442

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide (CID 19528144) is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)n1cc([N+](=O)[O-])c(OC)n1.
What is the InChIKey of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is POEIIFFIAQIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-4-5-11-9(15)7(2)13-6-8(14(16)17)10(12-13)18-3/h4,6-7H,1,5H2,2-3H3,(H,11,15).
What are the key properties of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide?
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 254.25 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 19528144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).