4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one

C13H23N3O — CID 61270814

IUPAC4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1C(C)C1CC1
InChIInChI=1S/C13H23N3O/c1-4-8-15-11(5-2)12(14)13(17)16(15)9(3)10-6-7-10/h9-10H,4-8,14H2,1-3H3
InChIKeyADJJEQZIDNOJRH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.18
Rot. Bonds5

About 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one

4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one (PubChem CID 61270814) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one
PubChem CID61270814
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one
SMILESCCCn1c(CC)c(N)c(=O)n1C(C)C1CC1
InChIInChI=1S/C13H23N3O/c1-4-8-15-11(5-2)12(14)13(17)16(15)9(3)10-6-7-10/h9-10H,4-8,14H2,1-3H3
InChIKeyADJJEQZIDNOJRH-UHFFFAOYSA-N
XLogP2.18
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one (CID 61270814) is 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one is CCCn1c(CC)c(N)c(=O)n1C(C)C1CC1.
What is the InChIKey of 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one?
The InChIKey is ADJJEQZIDNOJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-8-15-11(5-2)12(14)13(17)16(15)9(3)10-6-7-10/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one?
4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one has a molecular weight of 237.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-cyclopropylethyl)-5-ethyl-1-propylpyrazol-3-one is sourced from PubChem (CID 61270814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).