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

C12H13N5O3 — CID 843438

IUPACN-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2ccc([N+](=O)[O-])n2)nc1
InChIInChI=1S/C12H13N5O3/c1-9-2-3-10(13-8-9)14-12(18)5-7-16-6-4-11(15-16)17(19)20/h2-4,6,8H,5,7H2,1H3,(H,13,14,18)
InChIKeyKJUXIRCQRUGOKE-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.52
Rot. Bonds5

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

N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide (PubChem CID 843438) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide
PubChem CID843438
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC NameN-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCn2ccc([N+](=O)[O-])n2)nc1
InChIInChI=1S/C12H13N5O3/c1-9-2-3-10(13-8-9)14-12(18)5-7-16-6-4-11(15-16)17(19)20/h2-4,6,8H,5,7H2,1H3,(H,13,14,18)
InChIKeyKJUXIRCQRUGOKE-UHFFFAOYSA-N
XLogP1.52
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.52
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'}

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Related Compounds

N-(4-methyl-2-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565838
N-(3-chloro-2-methylphenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565797
N-(2,6-dichlorophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565820
3-(3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19565795
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19566046
N-(1-methylbenzimidazol-2-yl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565850
N-[3-(4-methylphenoxy)-5-nitrophenyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565913
N-(5-methyl-2-pyridinyl)-2-nitroacetamide
CID 12520553
N-(3-methoxy-5-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565880
N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19566063
3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 4772218
1-ethyl-N-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19566036

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide (CID 843438) is N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide is Cc1ccc(NC(=O)CCn2ccc([N+](=O)[O-])n2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide?
The InChIKey is KJUXIRCQRUGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-9-2-3-10(13-8-9)14-12(18)5-7-16-6-4-11(15-16)17(19)20/h2-4,6,8H,5,7H2,1H3,(H,13,14,18).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide?
N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide has a molecular weight of 275.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-(3-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 843438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).