4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde

C7H9N3O — CID 89048653

IUPAC4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1[nH]ncc1NC1CC1
InChIInChI=1S/C7H9N3O/c11-4-7-6(3-8-10-7)9-5-1-2-5/h3-5,9H,1-2H2,(H,8,10)
InChIKeyCSGFWVXUPPMLOG-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.80
Rot. Bonds3

About 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde

4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde (PubChem CID 89048653) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde
PubChem CID89048653
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1[nH]ncc1NC1CC1
InChIInChI=1S/C7H9N3O/c11-4-7-6(3-8-10-7)9-5-1-2-5/h3-5,9H,1-2H2,(H,8,10)
InChIKeyCSGFWVXUPPMLOG-UHFFFAOYSA-N
XLogP0.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde (CID 89048653) is 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde is O=Cc1[nH]ncc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde?
The InChIKey is CSGFWVXUPPMLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-4-7-6(3-8-10-7)9-5-1-2-5/h3-5,9H,1-2H2,(H,8,10).
What are the key properties of 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde?
4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 89048653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).