2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C10H11N5O3S — CID 4771380

IUPAC2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2nccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O3S/c1-6-8(15(17)18)5-14(13-6)7(2)9(16)12-10-11-3-4-19-10/h3-5,7H,1-2H3,(H,11,12,16)
InChIKeyCRMYXZXSFWFFCD-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.76
Rot. Bonds4

About 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4771380) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4771380
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nn(C(C)C(=O)Nc2nccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O3S/c1-6-8(15(17)18)5-14(13-6)7(2)9(16)12-10-11-3-4-19-10/h3-5,7H,1-2H3,(H,11,12,16)
InChIKeyCRMYXZXSFWFFCD-UHFFFAOYSA-N
XLogP1.76
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
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'}

Analyze 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)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

(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018442
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393506
N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533024
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
N,1-dimethyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19533250
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 45153796
N-(1-methylbenzimidazol-2-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533055
2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19533190
methyl 1-methyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylate
CID 19342217
2-(3-methyl-4-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19533089
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19335833
2-(3-methyl-4-nitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19533117

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 4771380) is 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is Cc1nn(C(C)C(=O)Nc2nccs2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CRMYXZXSFWFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-6-8(15(17)18)5-14(13-6)7(2)9(16)12-10-11-3-4-19-10/h3-5,7H,1-2H3,(H,11,12,16).
What are the key properties of 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 281.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4771380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).