N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide

C9H14N4O4 — CID 19538763

IUPACN-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1C(C)C(=O)NCCO
InChIInChI=1S/C9H14N4O4/c1-6-5-8(13(16)17)11-12(6)7(2)9(15)10-3-4-14/h5,7,14H,3-4H2,1-2H3,(H,10,15)
InChIKeyCXJWNJWIDGCTSA-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.23
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide

N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide (PubChem CID 19538763) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
PubChem CID19538763
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC NameN-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1C(C)C(=O)NCCO
InChIInChI=1S/C9H14N4O4/c1-6-5-8(13(16)17)11-12(6)7(2)9(15)10-3-4-14/h5,7,14H,3-4H2,1-2H3,(H,10,15)
InChIKeyCXJWNJWIDGCTSA-UHFFFAOYSA-N
XLogP-0.23
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538903
N-(2,6-dimethylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538729
N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538770
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19538689
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19538791
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 19538908
4-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19585185
N-[2-(diethylamino)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553643
(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
CID 7026070

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide (CID 19538763) is N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide is Cc1cc([N+](=O)[O-])nn1C(C)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
The InChIKey is CXJWNJWIDGCTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-6-5-8(13(16)17)11-12(6)7(2)9(15)10-3-4-14/h5,7,14H,3-4H2,1-2H3,(H,10,15).
What are the key properties of N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide?
N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide has a molecular weight of 242.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19538763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).