N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide

C12H16N6O — CID 843151

IUPACN-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1nn(C)cc1C=NNC(=O)Cn1nccc1C
InChIInChI=1S/C12H16N6O/c1-9-4-5-14-18(9)8-12(19)15-13-6-11-7-17(3)16-10(11)2/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyBURHDQUJCIGZQM-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.38
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide

N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 843151) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID843151
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1nn(C)cc1C=NNC(=O)Cn1nccc1C
InChIInChI=1S/C12H16N6O/c1-9-4-5-14-18(9)8-12(19)15-13-6-11-7-17(3)16-10(11)2/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyBURHDQUJCIGZQM-UHFFFAOYSA-N
XLogP0.38
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide (CID 843151) is N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is Cc1nn(C)cc1C=NNC(=O)Cn1nccc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is BURHDQUJCIGZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9-4-5-14-18(9)8-12(19)15-13-6-11-7-17(3)16-10(11)2/h4-7H,8H2,1-3H3,(H,15,19).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 843151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).