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

C10H11N3O — CID 2794162

IUPAC4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1N
InChIInChI=1S/C10H11N3O/c1-7-9(11)10(14)13(12-7)8-5-3-2-4-6-8/h2-6,12H,11H2,1H3
InChIKeyDDRYYGYEWVMUES-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.06
Rot. Bonds1

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

4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 2794162) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID2794162
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1N
InChIInChI=1S/C10H11N3O/c1-7-9(11)10(14)13(12-7)8-5-3-2-4-6-8/h2-6,12H,11H2,1H3
InChIKeyDDRYYGYEWVMUES-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Aminopyrine
CID 6009
Antipyrine
CID 2206
Methylaminoantipyrine
CID 10618
4-Aminoantipyrine
CID 2151
Ramifenazone
CID 5037
4-Iodoantipyrine
CID 8522
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
N-Acetyl-1,2-diphenylhydrazine
CID 140901
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-4-(phenylazo)-
CID 624132

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 2794162) is 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1N.
What is the InChIKey of 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is DDRYYGYEWVMUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-9(11)10(14)13(12-7)8-5-3-2-4-6-8/h2-6,12H,11H2,1H3.
What are the key properties of 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 189.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 2794162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).