4-amino-2,3-dimethyl-1H-pyrazol-5-one

C5H9N3O — CID 45092821

IUPAC4-amino-2,3-dimethyl-1H-pyrazol-5-one
SMILESCc1c(N)c(=O)[nH]n1C
InChIInChI=1S/C5H9N3O/c1-3-4(6)5(9)7-8(3)2/h6H2,1-2H3,(H,7,9)
InChIKeyRAVMVCJNQFLJPG-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.40
Rot. Bonds

About 4-amino-2,3-dimethyl-1H-pyrazol-5-one

4-amino-2,3-dimethyl-1H-pyrazol-5-one (PubChem CID 45092821) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-amino-2,3-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-amino-2,3-dimethyl-1H-pyrazol-5-one
PubChem CID45092821
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-amino-2,3-dimethyl-1H-pyrazol-5-one
SMILESCc1c(N)c(=O)[nH]n1C
InChIInChI=1S/C5H9N3O/c1-3-4(6)5(9)7-8(3)2/h6H2,1-2H3,(H,7,9)
InChIKeyRAVMVCJNQFLJPG-UHFFFAOYSA-N
XLogP-0.40
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 4-amino-2,3-dimethyl-1H-pyrazol-5-one (CID 45092821) is 4-amino-2,3-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-amino-2,3-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 4-amino-2,3-dimethyl-1H-pyrazol-5-one is Cc1c(N)c(=O)[nH]n1C.
What is the InChIKey of 4-amino-2,3-dimethyl-1H-pyrazol-5-one?
The InChIKey is RAVMVCJNQFLJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-4(6)5(9)7-8(3)2/h6H2,1-2H3,(H,7,9).
What are the key properties of 4-amino-2,3-dimethyl-1H-pyrazol-5-one?
4-amino-2,3-dimethyl-1H-pyrazol-5-one has a molecular weight of 127.15 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 45092821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).