N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide

C12H13N5O3 — CID 4773735

IUPACN-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1ccnc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C12H13N5O3/c1-8-3-4-13-11(5-8)15-12(18)9(2)16-7-10(6-14-16)17(19)20/h3-7,9H,1-2H3,(H,13,15,18)
InChIKeyVHDHRIKGIBOSNK-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.69
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide

N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 4773735) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID4773735
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC NameN-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1ccnc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C12H13N5O3/c1-8-3-4-13-11(5-8)15-12(18)9(2)16-7-10(6-14-16)17(19)20/h3-7,9H,1-2H3,(H,13,15,18)
InChIKeyVHDHRIKGIBOSNK-UHFFFAOYSA-N
XLogP1.69
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide (CID 4773735) is N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide is Cc1ccnc(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is VHDHRIKGIBOSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-3-4-13-11(5-8)15-12(18)9(2)16-7-10(6-14-16)17(19)20/h3-7,9H,1-2H3,(H,13,15,18).
What are the key properties of N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide?
N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 275.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4773735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).