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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-aminotetrazol-2-yl)-N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 6866442
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 9563596
N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6889397
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
CID 6889485
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 92589742
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159
N-(hexan-2-ylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4350479
N-(2-aminoethyl)-2-(5-methyl-1H-pyrazol-1-yl)acetamide
CID 7017753
N-[(E)-hexan-2-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9658809
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43749413
(2S)-2-{[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-3-methylbutanamide
CID 46992505
(2S)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 100067084

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).