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

C4H9Cl2N3O — CID 119041801

IUPAC4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride
SMILESCc1[nH][nH]c(=O)c1N.Cl.Cl
InChIInChI=1S/C4H7N3O.2ClH/c1-2-3(5)4(8)7-6-2;;/h5H2,1H3,(H2,6,7,8);2*1H
InChIKeyCDSSUWLVQWLBEB-UHFFFAOYSA-N
MW186.04 g/mol
LogP0.44
Rot. Bonds

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

4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride (PubChem CID 119041801) has the molecular formula C4H9Cl2N3O and a molecular weight of 186.04 g/mol. Its IUPAC name is 4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride
PubChem CID119041801
Molecular FormulaC4H9Cl2N3O
Molecular Weight186.04 g/mol
Exact Mass185.01
IUPAC Name4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride
SMILESCc1[nH][nH]c(=O)c1N.Cl.Cl
InChIInChI=1S/C4H7N3O.2ClH/c1-2-3(5)4(8)7-6-2;;/h5H2,1H3,(H2,6,7,8);2*1H
InChIKeyCDSSUWLVQWLBEB-UHFFFAOYSA-N
XLogP0.44
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 50.44
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;dihydrochloride?
The IUPAC name of 4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride (CID 119041801) is 4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride.
What is the SMILES notation for 4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride?
The canonical SMILES for 4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride is Cc1[nH][nH]c(=O)c1N.Cl.Cl.
What is the InChIKey of 4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride?
The InChIKey is CDSSUWLVQWLBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.2ClH/c1-2-3(5)4(8)7-6-2;;/h5H2,1H3,(H2,6,7,8);2*1H.
What are the key properties of 4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride?
4-amino-5-methyl-1,2-dihydropyrazol-3-one;dihydrochloride has a molecular weight of 186.04 g/mol, XLogP of 0.44, 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;dihydrochloride is sourced from PubChem (CID 119041801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).