4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one

C8H15N3O — CID 103995081

IUPAC4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one
SMILESCCn1[nH]c(C(C)C)c(N)c1=O
InChIInChI=1S/C8H15N3O/c1-4-11-8(12)6(9)7(10-11)5(2)3/h5,10H,4,9H2,1-3H3
InChIKeyHQJACTQFVKKNFH-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.90
Rot. Bonds2

About 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one

4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 103995081) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID103995081
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one
SMILESCCn1[nH]c(C(C)C)c(N)c1=O
InChIInChI=1S/C8H15N3O/c1-4-11-8(12)6(9)7(10-11)5(2)3/h5,10H,4,9H2,1-3H3
InChIKeyHQJACTQFVKKNFH-UHFFFAOYSA-N
XLogP0.90
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.90
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-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one (CID 103995081) is 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one is CCn1[nH]c(C(C)C)c(N)c1=O.
What is the InChIKey of 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is HQJACTQFVKKNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-11-8(12)6(9)7(10-11)5(2)3/h5,10H,4,9H2,1-3H3.
What are the key properties of 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one?
4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 169.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103995081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).