4-amino-5-methyl-1,2-dihydropyrazol-3-one

C4H7N3O — CID 10197656

IUPAC4-amino-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1N
InChIInChI=1S/C4H7N3O/c1-2-3(5)4(8)7-6-2/h5H2,1H3,(H2,6,7,8)
InChIKeyVUYWQWFWWHLKFG-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.41
Rot. Bonds

About 4-amino-5-methyl-1,2-dihydropyrazol-3-one

4-amino-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 10197656) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-amino-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID10197656
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name4-amino-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1N
InChIInChI=1S/C4H7N3O/c1-2-3(5)4(8)7-6-2/h5H2,1H3,(H2,6,7,8)
InChIKeyVUYWQWFWWHLKFG-UHFFFAOYSA-N
XLogP-0.41
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-amino-5-methyl-1,2-dihydropyrazol-3-one (CID 10197656) is 4-amino-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-amino-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-amino-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1N.
What is the InChIKey of 4-amino-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is VUYWQWFWWHLKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-2-3(5)4(8)7-6-2/h5H2,1H3,(H2,6,7,8).
What are the key properties of 4-amino-5-methyl-1,2-dihydropyrazol-3-one?
4-amino-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 113.12 g/mol, XLogP of -0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 10197656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).