(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide

C14H22N4O4 — CID 124763019

IUPAC(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C14H22N4O4/c1-9(8-17-10(2)7-13(16-17)18(20)21)14(19)15-11(3)12-5-4-6-22-12/h7,9,11-12H,4-6,8H2,1-3H3,(H,15,19)/t9-,11+,12+/m0/s1
InChIKeyNBDDIGZRLILDLR-MVWJERBFSA-N
MW310.35 g/mol
LogP1.42
Rot. Bonds6

About (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide

(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide (PubChem CID 124763019) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
PubChem CID124763019
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C14H22N4O4/c1-9(8-17-10(2)7-13(16-17)18(20)21)14(19)15-11(3)12-5-4-6-22-12/h7,9,11-12H,4-6,8H2,1-3H3,(H,15,19)/t9-,11+,12+/m0/s1
InChIKeyNBDDIGZRLILDLR-MVWJERBFSA-N
XLogP1.42
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
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'}

Analyze (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide 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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568243
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283212
(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 51391159
N-(1,3-benzodioxol-5-yl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 4775008
4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 35226421
2-methyl-N-(4-methyl-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19566686
(2R)-N-(3-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 51390828
1-methyl-4-nitro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390109
1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide
CID 51390208
ethyl (E)-3-[[2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoyl]amino]but-2-enoate
CID 19568376
[(Z)-[amino(phenyl)methylidene]amino] 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanoate
CID 19290123
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 19575574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide (CID 124763019) is (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide is Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)N[C@H](C)[C@H]1CCCO1.
What is the InChIKey of (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is NBDDIGZRLILDLR-MVWJERBFSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-9(8-17-10(2)7-13(16-17)18(20)21)14(19)15-11(3)12-5-4-6-22-12/h7,9,11-12H,4-6,8H2,1-3H3,(H,15,19)/t9-,11+,12+/m0/s1.
What are the key properties of (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
(2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 310.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 124763019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).