(5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone

C6H9N3O2 — CID 176524572

IUPAC(5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone
SMILESCCOC1=C(N)NNC1=C=O
InChIInChI=1S/C6H9N3O2/c1-2-11-5-4(3-10)8-9-6(5)7/h8-9H,2,7H2,1H3
InChIKeyGMPVIIWBDQRBQE-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.03
Rot. Bonds2

About (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone

(5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone (PubChem CID 176524572) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone.

Molecular Properties

Compound Name(5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone
PubChem CID176524572
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name(5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone
SMILESCCOC1=C(N)NNC1=C=O
InChIInChI=1S/C6H9N3O2/c1-2-11-5-4(3-10)8-9-6(5)7/h8-9H,2,7H2,1H3
InChIKeyGMPVIIWBDQRBQE-UHFFFAOYSA-N
XLogP-1.03
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone?
The IUPAC name of (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone (CID 176524572) is (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone.
What is the SMILES notation for (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone?
The canonical SMILES for (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone is CCOC1=C(N)NNC1=C=O.
What is the InChIKey of (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone?
The InChIKey is GMPVIIWBDQRBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-11-5-4(3-10)8-9-6(5)7/h8-9H,2,7H2,1H3.
What are the key properties of (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone?
(5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone has a molecular weight of 155.16 g/mol, XLogP of -1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-ethoxy-1,2-dihydropyrazol-3-ylidene)methanone is sourced from PubChem (CID 176524572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).