N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide

C9H11N5O2 — CID 102805642

IUPACN-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
SMILESCc1nn(C)cc1NC(=O)C(=O)NCC#N
InChIInChI=1S/C9H11N5O2/c1-6-7(5-14(2)13-6)12-9(16)8(15)11-4-3-10/h5H,4H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyFTMAMUFTTWEMGQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.69
Rot. Bonds2

About N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide

N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide (PubChem CID 102805642) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
PubChem CID102805642
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
SMILESCc1nn(C)cc1NC(=O)C(=O)NCC#N
InChIInChI=1S/C9H11N5O2/c1-6-7(5-14(2)13-6)12-9(16)8(15)11-4-3-10/h5H,4H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyFTMAMUFTTWEMGQ-UHFFFAOYSA-N
XLogP-0.69
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide 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

N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
CID 71846896
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
2-cyano-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 102805652
N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 112669044
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 102806525
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
CID 102806777
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
4-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 102806619
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide (CID 102805642) is N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide is Cc1nn(C)cc1NC(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide?
The InChIKey is FTMAMUFTTWEMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-6-7(5-14(2)13-6)12-9(16)8(15)11-4-3-10/h5H,4H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide?
N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide has a molecular weight of 221.22 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide is sourced from PubChem (CID 102805642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).