5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one

C12H15N3O — CID 82471847

IUPAC5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one
SMILESCC(C)c1ccc(N2N=C(N)CC2=O)cc1
InChIInChI=1S/C12H15N3O/c1-8(2)9-3-5-10(6-4-9)15-12(16)7-11(13)14-15/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyRQAWUQIRBHVQNP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.82
Rot. Bonds2

About 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one

5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one (PubChem CID 82471847) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one
PubChem CID82471847
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one
SMILESCC(C)c1ccc(N2N=C(N)CC2=O)cc1
InChIInChI=1S/C12H15N3O/c1-8(2)9-3-5-10(6-4-9)15-12(16)7-11(13)14-15/h3-6,8H,7H2,1-2H3,(H2,13,14)
InChIKeyRQAWUQIRBHVQNP-UHFFFAOYSA-N
XLogP1.82
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[4-(dihydroxymethyl)phenyl]-4H-pyrazol-3-one
CID 59939902
2-(4-methylphenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 43084359
2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one;hydrate;dihydrochloride
CID 74892069
5-amino-2-(3,5-difluorophenyl)-4H-pyrazol-3-one
CID 122714168
5-amino-2-(2-methyl-1,3-benzoxazol-6-yl)-4H-pyrazol-3-one
CID 82390925
5-isocyano-2-(4-methylphenyl)-4H-pyrazol-3-one
CID 172525602
5-amino-2-(1,3-benzothiazol-6-yl)-4H-pyrazol-3-one
CID 96599066
4-methylidene-1-(4-propan-2-ylphenyl)piperidin-2-one
CID 167627647
5-amino-2-(5-methyl-1,3-oxazol-2-yl)-4H-pyrazol-3-one
CID 82409209
1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxamide
CID 71396342
2-(3-chloro-4-methylphenyl)-5-propan-2-yl-4H-pyrazol-3-one
CID 23125339
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one (CID 82471847) is 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one is CC(C)c1ccc(N2N=C(N)CC2=O)cc1.
What is the InChIKey of 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one?
The InChIKey is RQAWUQIRBHVQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)9-3-5-10(6-4-9)15-12(16)7-11(13)14-15/h3-6,8H,7H2,1-2H3,(H2,13,14).
What are the key properties of 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one?
5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-propan-2-ylphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 82471847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).