3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide

C6H9N5O — CID 144824622

IUPAC3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide
SMILESC=Nc1c(C(N)=O)c(N)nn1C
InChIInChI=1S/C6H9N5O/c1-9-6-3(5(8)12)4(7)10-11(6)2/h1H2,2H3,(H2,7,10)(H2,8,12)
InChIKeyVANGOODDJFATND-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.57
Rot. Bonds2

About 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide

3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide (PubChem CID 144824622) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide
PubChem CID144824622
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide
SMILESC=Nc1c(C(N)=O)c(N)nn1C
InChIInChI=1S/C6H9N5O/c1-9-6-3(5(8)12)4(7)10-11(6)2/h1H2,2H3,(H2,7,10)(H2,8,12)
InChIKeyVANGOODDJFATND-UHFFFAOYSA-N
XLogP-0.57
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide 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

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
5-amino-1-ethyl-1H-pyrazole-4-carboxamide
CID 15040077
5-amino-1-methyl-3-(methylsulfanyl)-1H-pyrazole-4-carboxamide
CID 18734721
3-amino-1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136321308
3-amino-2-methyl-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702345
2-methyl-3-(methylamino)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702357
5-Amino-3-fluoro-1-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
CID 162755954
5-Amino-N,1-dimethyl-1H-pyrazole-4-carboxamide
CID 37134601
1-Methyl-3-(methylamino)pyrazole-4-carboxamide
CID 129931430
1-Methyl-3,5-dinitropyrazole-4-carboxamide
CID 129879614

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide (CID 144824622) is 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide is C=Nc1c(C(N)=O)c(N)nn1C.
What is the InChIKey of 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide?
The InChIKey is VANGOODDJFATND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-9-6-3(5(8)12)4(7)10-11(6)2/h1H2,2H3,(H2,7,10)(H2,8,12).
What are the key properties of 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide?
3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-(methylideneamino)pyrazole-4-carboxamide is sourced from PubChem (CID 144824622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).