N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide

C11H13N5O3S — CID 71994013

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESCCc1cnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)s1
InChIInChI=1S/C11H13N5O3S/c1-2-9-6-12-11(20-9)14-10(17)3-4-15-7-8(5-13-15)16(18)19/h5-7H,2-4H2,1H3,(H,12,14,17)
InChIKeyXAONLBOUSJXXAL-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.84
Rot. Bonds6

About N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide

N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 71994013) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID71994013
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESCCc1cnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)s1
InChIInChI=1S/C11H13N5O3S/c1-2-9-6-12-11(20-9)14-10(17)3-4-15-7-8(5-13-15)16(18)19/h5-7H,2-4H2,1H3,(H,12,14,17)
InChIKeyXAONLBOUSJXXAL-UHFFFAOYSA-N
XLogP1.84
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.84
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'}

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 86836426
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 71869130
3-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393446
N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60573218
N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60574033
5-[(4-nitropyrazol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775296
1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19555657
2-ethyl-N-[3-[3-(4-nitropyrazol-1-yl)propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19555628
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555678
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 95316294

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide (CID 71994013) is N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide is CCc1cnc(NC(=O)CCn2cc([N+](=O)[O-])cn2)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is XAONLBOUSJXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-2-9-6-12-11(20-9)14-10(17)3-4-15-7-8(5-13-15)16(18)19/h5-7H,2-4H2,1H3,(H,12,14,17).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide?
N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 295.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 71994013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).