3-amino-1-prop-2-enylpyrazole-4-carboxamide

C7H10N4O — CID 59594471

IUPAC3-amino-1-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCn1cc(C(N)=O)c(N)n1
InChIInChI=1S/C7H10N4O/c1-2-3-11-4-5(7(9)12)6(8)10-11/h2,4H,1,3H2,(H2,8,10)(H2,9,12)
InChIKeyYZLFBXJRCIMLGW-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.25
Rot. Bonds3

About 3-amino-1-prop-2-enylpyrazole-4-carboxamide

3-amino-1-prop-2-enylpyrazole-4-carboxamide (PubChem CID 59594471) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-1-prop-2-enylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-prop-2-enylpyrazole-4-carboxamide
PubChem CID59594471
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name3-amino-1-prop-2-enylpyrazole-4-carboxamide
SMILESC=CCn1cc(C(N)=O)c(N)n1
InChIInChI=1S/C7H10N4O/c1-2-3-11-4-5(7(9)12)6(8)10-11/h2,4H,1,3H2,(H2,8,10)(H2,9,12)
InChIKeyYZLFBXJRCIMLGW-UHFFFAOYSA-N
XLogP-0.25
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-1-prop-2-enylpyrazole-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-1-prop-2-enylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-prop-2-enylpyrazole-4-carboxamide (CID 59594471) is 3-amino-1-prop-2-enylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-prop-2-enylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-prop-2-enylpyrazole-4-carboxamide is C=CCn1cc(C(N)=O)c(N)n1.
What is the InChIKey of 3-amino-1-prop-2-enylpyrazole-4-carboxamide?
The InChIKey is YZLFBXJRCIMLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-3-11-4-5(7(9)12)6(8)10-11/h2,4H,1,3H2,(H2,8,10)(H2,9,12).
What are the key properties of 3-amino-1-prop-2-enylpyrazole-4-carboxamide?
3-amino-1-prop-2-enylpyrazole-4-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-prop-2-enylpyrazole-4-carboxamide is sourced from PubChem (CID 59594471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).