4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one

C10H19N3O — CID 61270203

IUPAC4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one
SMILESCCCCn1c(=O)c(N)c(C)n1CC
InChIInChI=1S/C10H19N3O/c1-4-6-7-13-10(14)9(11)8(3)12(13)5-2/h4-7,11H2,1-3H3
InChIKeyGMSRLBJFNKSPBB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one

4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one (PubChem CID 61270203) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one
PubChem CID61270203
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one
SMILESCCCCn1c(=O)c(N)c(C)n1CC
InChIInChI=1S/C10H19N3O/c1-4-6-7-13-10(14)9(11)8(3)12(13)5-2/h4-7,11H2,1-3H3
InChIKeyGMSRLBJFNKSPBB-UHFFFAOYSA-N
XLogP1.36
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one?
The IUPAC name of 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one (CID 61270203) is 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one?
The canonical SMILES for 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one is CCCCn1c(=O)c(N)c(C)n1CC.
What is the InChIKey of 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one?
The InChIKey is GMSRLBJFNKSPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-6-7-13-10(14)9(11)8(3)12(13)5-2/h4-7,11H2,1-3H3.
What are the key properties of 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one?
4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butyl-1-ethyl-5-methylpyrazol-3-one is sourced from PubChem (CID 61270203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).