4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one

C12H14FN3O — CID 83896489

IUPAC4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one
SMILESNCCCc1c[nH]n(-c2ccccc2F)c1=O
InChIInChI=1S/C12H14FN3O/c13-10-5-1-2-6-11(10)16-12(17)9(8-15-16)4-3-7-14/h1-2,5-6,8,15H,3-4,7,14H2
InChIKeyOUZMDEMSMGVFCP-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.20
Rot. Bonds4

About 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one

4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one (PubChem CID 83896489) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one
PubChem CID83896489
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one
SMILESNCCCc1c[nH]n(-c2ccccc2F)c1=O
InChIInChI=1S/C12H14FN3O/c13-10-5-1-2-6-11(10)16-12(17)9(8-15-16)4-3-7-14/h1-2,5-6,8,15H,3-4,7,14H2
InChIKeyOUZMDEMSMGVFCP-UHFFFAOYSA-N
XLogP1.20
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropyl)-2-(2-bromophenyl)-1H-pyrazol-3-one
CID 115068733
4-(3-aminopropyl)-2-(2-fluorophenyl)-3-hydroxy-1H-pyrazol-5-one
CID 117123073
4-(2-aminoethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 115068762
2-[2-(2,4-difluorophenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 125454463
4-(3-aminopropyl)-2-(2-chlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 117123339
2-[2-(2-bromophenyl)-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 115068738
4-(3-aminopropyl)-2-(2-bromophenyl)-5-methyl-1H-pyrazol-3-one
CID 117123340
3-[2-(2-fluorophenyl)phenyl]propan-1-amine
CID 170878786
3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one
CID 61263646
4-(2-aminoethyl)-2-[(2-hydroxyphenyl)methyl]-1H-pyrazol-3-one
CID 115068896
4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one
CID 57420560
3-(3-aminopropyl)-1-ethylpyridin-2-one
CID 105438966

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one (CID 83896489) is 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one is NCCCc1c[nH]n(-c2ccccc2F)c1=O.
What is the InChIKey of 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one?
The InChIKey is OUZMDEMSMGVFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-10-5-1-2-6-11(10)16-12(17)9(8-15-16)4-3-7-14/h1-2,5-6,8,15H,3-4,7,14H2.
What are the key properties of 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one?
4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one has a molecular weight of 235.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-(2-fluorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 83896489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).