4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide

C11H16N4O — CID 102805596

IUPAC4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C11H16N4O/c1-7-10(6-15(2)14-7)13-11(16)8-3-4-9(12)5-8/h3-4,6,8-9H,5,12H2,1-2H3,(H,13,16)
InChIKeyRIEOBQOPSZYQKV-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.57
Rot. Bonds2

About 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 102805596) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
PubChem CID102805596
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C11H16N4O/c1-7-10(6-15(2)14-7)13-11(16)8-3-4-9(12)5-8/h3-4,6,8-9H,5,12H2,1-2H3,(H,13,16)
InChIKeyRIEOBQOPSZYQKV-UHFFFAOYSA-N
XLogP0.57
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide (CID 102805596) is 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide is Cc1nn(C)cc1NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is RIEOBQOPSZYQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-10(6-15(2)14-7)13-11(16)8-3-4-9(12)5-8/h3-4,6,8-9H,5,12H2,1-2H3,(H,13,16).
What are the key properties of 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dimethylpyrazol-4-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 102805596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).