N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide

C8H12N4O — CID 177436867

IUPACN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide
SMILESCc1nn(C)cc1/C=N/N(C)C=O
InChIInChI=1S/C8H12N4O/c1-7-8(5-11(2)10-7)4-9-12(3)6-13/h4-6H,1-3H3/b9-4+
InChIKeyZULWHZSIBLBVEV-RUDMXATFSA-N
MW180.21 g/mol
LogP0.15
Rot. Bonds3

About N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide

N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide (PubChem CID 177436867) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide.

Molecular Properties

Compound NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide
PubChem CID177436867
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide
SMILESCc1nn(C)cc1/C=N/N(C)C=O
InChIInChI=1S/C8H12N4O/c1-7-8(5-11(2)10-7)4-9-12(3)6-13/h4-6H,1-3H3/b9-4+
InChIKeyZULWHZSIBLBVEV-RUDMXATFSA-N
XLogP0.15
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide?
The IUPAC name of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide (CID 177436867) is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide.
What is the SMILES notation for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide?
The canonical SMILES for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide is Cc1nn(C)cc1/C=N/N(C)C=O.
What is the InChIKey of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide?
The InChIKey is ZULWHZSIBLBVEV-RUDMXATFSA-N. The full InChI is InChI=1S/C8H12N4O/c1-7-8(5-11(2)10-7)4-9-12(3)6-13/h4-6H,1-3H3/b9-4+.
What are the key properties of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide?
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide has a molecular weight of 180.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-methylformamide is sourced from PubChem (CID 177436867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).