4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one

C10H11N3O — CID 10176462

IUPAC4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)c(N)c1-c1ccccc1
InChIInChI=1S/C10H11N3O/c1-13-9(8(11)10(14)12-13)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,14)
InChIKeyHKTAGWZWJIOJJL-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.96
Rot. Bonds1

About 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one

4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one (PubChem CID 10176462) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one
PubChem CID10176462
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)c(N)c1-c1ccccc1
InChIInChI=1S/C10H11N3O/c1-13-9(8(11)10(14)12-13)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,14)
InChIKeyHKTAGWZWJIOJJL-UHFFFAOYSA-N
XLogP0.96
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one?
The IUPAC name of 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one (CID 10176462) is 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one is Cn1[nH]c(=O)c(N)c1-c1ccccc1.
What is the InChIKey of 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one?
The InChIKey is HKTAGWZWJIOJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-9(8(11)10(14)12-13)7-5-3-2-4-6-7/h2-6H,11H2,1H3,(H,12,14).
What are the key properties of 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one?
4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one has a molecular weight of 189.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-3-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 10176462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).