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

C12H12FN3O — CID 103994907

IUPAC4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one
SMILESNc1c(C2CC2)[nH]n(-c2ccccc2F)c1=O
InChIInChI=1S/C12H12FN3O/c13-8-3-1-2-4-9(8)16-12(17)10(14)11(15-16)7-5-6-7/h1-4,7,15H,5-6,14H2
InChIKeyGNCLFJWFMSQQRW-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.76
Rot. Bonds2

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

4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one (PubChem CID 103994907) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one
PubChem CID103994907
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one
SMILESNc1c(C2CC2)[nH]n(-c2ccccc2F)c1=O
InChIInChI=1S/C12H12FN3O/c13-8-3-1-2-4-9(8)16-12(17)10(14)11(15-16)7-5-6-7/h1-4,7,15H,5-6,14H2
InChIKeyGNCLFJWFMSQQRW-UHFFFAOYSA-N
XLogP1.76
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-cyclopropyl-2-(2,4,5-trifluorophenyl)-1H-pyrazol-3-one
CID 103995384
5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazole-3-thione
CID 63353958
4-amino-5-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrazol-3-one
CID 103995032
4-amino-5-cyclopropyl-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 103994862
4-amino-2-(3-bromophenyl)-5-cyclopropyl-1H-pyrazol-3-one
CID 103995040
3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one
CID 61263646
2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
CID 105494040
4-bromo-5-cyclopropyl-2-(2-fluorophenyl)-1-methylpyrazol-3-one
CID 68679367
5-tert-butyl-2-(2-fluorophenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123667
4-amino-2-[(3-chlorophenyl)methyl]-5-cyclopropyl-1H-pyrazol-3-one
CID 113363195
6-amino-1-(2-fluorophenyl)pyrimidine-2,4-dione
CID 2997260
4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one
CID 57420560

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one (CID 103994907) is 4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one is Nc1c(C2CC2)[nH]n(-c2ccccc2F)c1=O.
What is the InChIKey of 4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one?
The InChIKey is GNCLFJWFMSQQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-8-3-1-2-4-9(8)16-12(17)10(14)11(15-16)7-5-6-7/h1-4,7,15H,5-6,14H2.
What are the key properties of 4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one?
4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one has a molecular weight of 233.25 g/mol, XLogP of 1.76, 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-(2-fluorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 103994907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).