3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide

C12H15N7O3 — CID 4773721

IUPAC3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)NN=Cc1ccn(C)n1
InChIInChI=1S/C12H15N7O3/c1-9-7-11(19(21)22)16-18(9)6-4-12(20)14-13-8-10-3-5-17(2)15-10/h3,5,7-8H,4,6H2,1-2H3,(H,14,20)
InChIKeyFTZGRDGHLJZFOF-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.37
Rot. Bonds6

About 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide

3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide (PubChem CID 4773721) has the molecular formula C12H15N7O3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide
PubChem CID4773721
Molecular FormulaC12H15N7O3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)NN=Cc1ccn(C)n1
InChIInChI=1S/C12H15N7O3/c1-9-7-11(19(21)22)16-18(9)6-4-12(20)14-13-8-10-3-5-17(2)15-10/h3,5,7-8H,4,6H2,1-2H3,(H,14,20)
InChIKeyFTZGRDGHLJZFOF-UHFFFAOYSA-N
XLogP0.37
TPSA120.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide?
The IUPAC name of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide (CID 4773721) is 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide.
What is the SMILES notation for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide?
The canonical SMILES for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide is Cc1cc([N+](=O)[O-])nn1CCC(=O)NN=Cc1ccn(C)n1.
What is the InChIKey of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide?
The InChIKey is FTZGRDGHLJZFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O3/c1-9-7-11(19(21)22)16-18(9)6-4-12(20)14-13-8-10-3-5-17(2)15-10/h3,5,7-8H,4,6H2,1-2H3,(H,14,20).
What are the key properties of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide?
3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide has a molecular weight of 305.30 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methylideneamino]propanamide is sourced from PubChem (CID 4773721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).