1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide

C9H15N5O2 — CID 122445374

IUPAC1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide
SMILESCNCCNC(=O)c1nn(C)cc1C(N)=O
InChIInChI=1S/C9H15N5O2/c1-11-3-4-12-9(16)7-6(8(10)15)5-14(2)13-7/h5,11H,3-4H2,1-2H3,(H2,10,15)(H,12,16)
InChIKeyVZLGLVRPFMUUJA-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.53
Rot. Bonds5

About 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide

1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide (PubChem CID 122445374) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide
PubChem CID122445374
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide
SMILESCNCCNC(=O)c1nn(C)cc1C(N)=O
InChIInChI=1S/C9H15N5O2/c1-11-3-4-12-9(16)7-6(8(10)15)5-14(2)13-7/h5,11H,3-4H2,1-2H3,(H2,10,15)(H,12,16)
InChIKeyVZLGLVRPFMUUJA-UHFFFAOYSA-N
XLogP-1.53
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide 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

3-(hydrazinecarbonyl)-1-methylpyrazole-4-carboxylic acid
CID 25252406
N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide
CID 83617588
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514
3-carbamoyl-1-methylpyrazole-4-carboxylic acid
CID 19623313
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498431
3-(3-ethoxypropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623940
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide?
The IUPAC name of 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide (CID 122445374) is 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide?
The canonical SMILES for 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide is CNCCNC(=O)c1nn(C)cc1C(N)=O.
What is the InChIKey of 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide?
The InChIKey is VZLGLVRPFMUUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-11-3-4-12-9(16)7-6(8(10)15)5-14(2)13-7/h5,11H,3-4H2,1-2H3,(H2,10,15)(H,12,16).
What are the key properties of 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide?
1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide has a molecular weight of 225.25 g/mol, XLogP of -1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-[2-(methylamino)ethyl]pyrazole-3,4-dicarboxamide is sourced from PubChem (CID 122445374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).