N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide

C11H14N6O3 — CID 43546550

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCn1cnc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N6O3/c1-7-11(8(2)15-14-7)13-10(18)3-4-16-5-9(12-6-16)17(19)20/h5-6H,3-4H2,1-2H3,(H,13,18)(H,14,15)
InChIKeyZXMAKKUMJQHQHH-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.16
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide (PubChem CID 43546550) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide
PubChem CID43546550
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCn1cnc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N6O3/c1-7-11(8(2)15-14-7)13-10(18)3-4-16-5-9(12-6-16)17(19)20/h5-6H,3-4H2,1-2H3,(H,13,18)(H,14,15)
InChIKeyZXMAKKUMJQHQHH-UHFFFAOYSA-N
XLogP1.16
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.16
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'}

Analyze N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-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

3-[3-(4-nitroimidazol-1-yl)propanoylamino]-1H-pyrazole-5-carboxylic acid
CID 64527671
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide
CID 24669626
methyl 3-(4-nitroimidazol-1-yl)propanoate
CID 11138092
2-[3-(4-nitroimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63913177
ethyl 2-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoate
CID 47393594
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-nitroimidazol-1-yl)propanamide
CID 31915532
N-(1-hydroxybutan-2-yl)-3-(4-nitroimidazol-1-yl)propanamide
CID 43417891
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 43546402
5-[3-(4-nitroimidazol-1-yl)propanoylamino]hexanoic acid
CID 82845972
ethyl 5-ethyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]thiophene-3-carboxylate
CID 31927490
3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]pentanoic acid
CID 43356517
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide (CID 43546550) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide is Cc1n[nH]c(C)c1NC(=O)CCn1cnc([N+](=O)[O-])c1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide?
The InChIKey is ZXMAKKUMJQHQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-7-11(8(2)15-14-7)13-10(18)3-4-16-5-9(12-6-16)17(19)20/h5-6H,3-4H2,1-2H3,(H,13,18)(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide has a molecular weight of 278.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide is sourced from PubChem (CID 43546550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).