4-amino-2-ethyl-1H-pyrazol-3-one

C5H9N3O — CID 15847213

IUPAC4-amino-2-ethyl-1H-pyrazol-3-one
SMILESCCn1[nH]cc(N)c1=O
InChIInChI=1S/C5H9N3O/c1-2-8-5(9)4(6)3-7-8/h3,7H,2,6H2,1H3
InChIKeyCWFAXXKVJJHNIN-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.22
Rot. Bonds1

About 4-amino-2-ethyl-1H-pyrazol-3-one

4-amino-2-ethyl-1H-pyrazol-3-one (PubChem CID 15847213) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-amino-2-ethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-ethyl-1H-pyrazol-3-one
PubChem CID15847213
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-amino-2-ethyl-1H-pyrazol-3-one
SMILESCCn1[nH]cc(N)c1=O
InChIInChI=1S/C5H9N3O/c1-2-8-5(9)4(6)3-7-8/h3,7H,2,6H2,1H3
InChIKeyCWFAXXKVJJHNIN-UHFFFAOYSA-N
XLogP-0.22
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-ethyl-1H-pyrazol-3-one (CID 15847213) is 4-amino-2-ethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-ethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-ethyl-1H-pyrazol-3-one is CCn1[nH]cc(N)c1=O.
What is the InChIKey of 4-amino-2-ethyl-1H-pyrazol-3-one?
The InChIKey is CWFAXXKVJJHNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-8-5(9)4(6)3-7-8/h3,7H,2,6H2,1H3.
What are the key properties of 4-amino-2-ethyl-1H-pyrazol-3-one?
4-amino-2-ethyl-1H-pyrazol-3-one has a molecular weight of 127.15 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-1H-pyrazol-3-one is sourced from PubChem (CID 15847213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).