5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide

C9H16N4O2 — CID 63758751

IUPAC5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(OCCCN)c1C(N)=O
InChIInChI=1S/C9H16N4O2/c1-6-7(8(11)14)9(13(2)12-6)15-5-3-4-10/h3-5,10H2,1-2H3,(H2,11,14)
InChIKeyPMBRZGILHOHEED-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.44
Rot. Bonds5

About 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide

5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 63758751) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID63758751
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(OCCCN)c1C(N)=O
InChIInChI=1S/C9H16N4O2/c1-6-7(8(11)14)9(13(2)12-6)15-5-3-4-10/h3-5,10H2,1-2H3,(H2,11,14)
InChIKeyPMBRZGILHOHEED-UHFFFAOYSA-N
XLogP-0.44
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide (CID 63758751) is 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(OCCCN)c1C(N)=O.
What is the InChIKey of 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PMBRZGILHOHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-7(8(11)14)9(13(2)12-6)15-5-3-4-10/h3-5,10H2,1-2H3,(H2,11,14).
What are the key properties of 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide?
5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropoxy)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63758751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).