N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide

C8H10N4O — CID 79193800

IUPACN-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC#N)n(C)n1
InChIInChI=1S/C8H10N4O/c1-3-6-4-7(12(2)11-6)8(13)10-5-9/h4H,3H2,1-2H3,(H,10,13)
InChIKeyPQKIROUTQXXHCZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.19
Rot. Bonds2

About N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide

N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 79193800) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID79193800
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-cyano-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC#N)n(C)n1
InChIInChI=1S/C8H10N4O/c1-3-6-4-7(12(2)11-6)8(13)10-5-9/h4H,3H2,1-2H3,(H,10,13)
InChIKeyPQKIROUTQXXHCZ-UHFFFAOYSA-N
XLogP0.19
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-3-ethyl-1-methylpyrazole-5-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

N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120728
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-[1-(cyanomethyl)pyrazol-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 95754868
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
3-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 66121139
N-[cyano(cyclohexyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119938
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid
CID 66121113
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825

Frequently Asked Questions

What is the IUPAC name of N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide (CID 79193800) is N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC#N)n(C)n1.
What is the InChIKey of N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is PQKIROUTQXXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-6-4-7(12(2)11-6)8(13)10-5-9/h4H,3H2,1-2H3,(H,10,13).
What are the key properties of N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide?
N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 79193800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).