3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide

C15H20N4O5 — CID 111482319

IUPAC3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
SMILESCc1nn(CCC(=O)NCC(C)(O)c2ccco2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O5/c1-10-14(19(22)23)11(2)18(17-10)7-6-13(20)16-9-15(3,21)12-5-4-8-24-12/h4-5,8,21H,6-7,9H2,1-3H3,(H,16,20)
InChIKeyWLOOVJJVTUDXAJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.42
Rot. Bonds7

About 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide (PubChem CID 111482319) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
PubChem CID111482319
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
SMILESCc1nn(CCC(=O)NCC(C)(O)c2ccco2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O5/c1-10-14(19(22)23)11(2)18(17-10)7-6-13(20)16-9-15(3,21)12-5-4-8-24-12/h4-5,8,21H,6-7,9H2,1-3H3,(H,16,20)
InChIKeyWLOOVJJVTUDXAJ-UHFFFAOYSA-N
XLogP1.42
TPSA123.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484049
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-ethylpropanamide
CID 19557948
3-(1,3-dimethylpyrazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111482785
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19557805
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111482780
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
N-(2-amino-2-phenylethyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 119529652
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19557901
2-[2-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242165
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-nitroanilino)acetamide
CID 111520261
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-hydroxyphenyl)propyl]propanamide
CID 56792528
6-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]hexanoic acid
CID 119220044

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide (CID 111482319) is 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide is Cc1nn(CCC(=O)NCC(C)(O)c2ccco2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The InChIKey is WLOOVJJVTUDXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-10-14(19(22)23)11(2)18(17-10)7-6-13(20)16-9-15(3,21)12-5-4-8-24-12/h4-5,8,21H,6-7,9H2,1-3H3,(H,16,20).
What are the key properties of 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide has a molecular weight of 336.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 111482319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).