3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide

C8H14N4O — CID 123241480

IUPAC3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide
SMILESCCNC(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C8H14N4O/c1-4-10-8(13)6-5(2)12(3)11-7(6)9/h4H2,1-3H3,(H2,9,11)(H,10,13)
InChIKeyPJIZSPWFGWWGQD-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.06
Rot. Bonds2

About 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide

3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 123241480) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide
PubChem CID123241480
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide
SMILESCCNC(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C8H14N4O/c1-4-10-8(13)6-5(2)12(3)11-7(6)9/h4H2,1-3H3,(H2,9,11)(H,10,13)
InChIKeyPJIZSPWFGWWGQD-UHFFFAOYSA-N
XLogP0.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-ethyl-1,5-dimethylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide (CID 123241480) is 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide is CCNC(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is PJIZSPWFGWWGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4-10-8(13)6-5(2)12(3)11-7(6)9/h4H2,1-3H3,(H2,9,11)(H,10,13).
What are the key properties of 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide?
3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 123241480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).