3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one

C10H11N3O — CID 68823925

IUPAC3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one
SMILESCc1ccccc1C1C(=O)N=NC1N
InChIInChI=1S/C10H11N3O/c1-6-4-2-3-5-7(6)8-9(11)12-13-10(8)14/h2-5,8-9H,11H2,1H3
InChIKeyVEOCVEDTMMVQPN-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.36
Rot. Bonds1

About 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one

3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one (PubChem CID 68823925) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one
PubChem CID68823925
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one
SMILESCc1ccccc1C1C(=O)N=NC1N
InChIInChI=1S/C10H11N3O/c1-6-4-2-3-5-7(6)8-9(11)12-13-10(8)14/h2-5,8-9H,11H2,1H3
InChIKeyVEOCVEDTMMVQPN-UHFFFAOYSA-N
XLogP1.36
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one?
The IUPAC name of 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one (CID 68823925) is 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one?
The canonical SMILES for 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one is Cc1ccccc1C1C(=O)N=NC1N.
What is the InChIKey of 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one?
The InChIKey is VEOCVEDTMMVQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-4-2-3-5-7(6)8-9(11)12-13-10(8)14/h2-5,8-9H,11H2,1H3.
What are the key properties of 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one?
3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one has a molecular weight of 189.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylphenyl)-3,4-dihydropyrazol-5-one is sourced from PubChem (CID 68823925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).