4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one

C14H17N3O — CID 103995032

IUPAC4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
SMILESCc1cc(C)cc(-n2[nH]c(C3CC3)c(N)c2=O)c1
InChIInChI=1S/C14H17N3O/c1-8-5-9(2)7-11(6-8)17-14(18)12(15)13(16-17)10-3-4-10/h5-7,10,16H,3-4,15H2,1-2H3
InChIKeyYLFUZTDRIRGYLM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds2

About 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one

4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one (PubChem CID 103995032) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
PubChem CID103995032
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
SMILESCc1cc(C)cc(-n2[nH]c(C3CC3)c(N)c2=O)c1
InChIInChI=1S/C14H17N3O/c1-8-5-9(2)7-11(6-8)17-14(18)12(15)13(16-17)10-3-4-10/h5-7,10,16H,3-4,15H2,1-2H3
InChIKeyYLFUZTDRIRGYLM-UHFFFAOYSA-N
XLogP2.24
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-3-one
CID 113363113
4-amino-2-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-one
CID 103995040
4-amino-5-cyclopropyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 103994862
4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995030
4-amino-2-(3,5-dimethylphenyl)-5-propan-2-yl-1H-pyrazol-3-one
CID 103995029
4-amino-5-cyclopropyl-2-(2,4,5-trifluorophenyl)-1H-pyrazol-3-one
CID 103995384
4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one
CID 107958698
3-(3,5-dimethylphenyl)-2H-phthalazine-1,4-dione
CID 166188406
4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one
CID 113363195
5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 66020447
5-(difluoromethyl)-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
CID 66022109
1-(3,5-dimethylphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione
CID 102582539

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one (CID 103995032) is 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one is Cc1cc(C)cc(-n2[nH]c(C3CC3)c(N)c2=O)c1.
What is the InChIKey of 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one?
The InChIKey is YLFUZTDRIRGYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-9(2)7-11(6-8)17-14(18)12(15)13(16-17)10-3-4-10/h5-7,10,16H,3-4,15H2,1-2H3.
What are the key properties of 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one?
4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one has a molecular weight of 243.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 103995032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).