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

C14H16FN3O — CID 63353689

IUPAC4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one
SMILESCCn1c(C2CC2)c(N)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-2-17-13(9-3-4-9)12(16)14(19)18(17)11-7-5-10(15)6-8-11/h5-9H,2-4,16H2,1H3
InChIKeyJCLRBOIXWHGKKY-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.26
Rot. Bonds3

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

4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one (PubChem CID 63353689) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one
PubChem CID63353689
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one
SMILESCCn1c(C2CC2)c(N)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-2-17-13(9-3-4-9)12(16)14(19)18(17)11-7-5-10(15)6-8-11/h5-9H,2-4,16H2,1H3
InChIKeyJCLRBOIXWHGKKY-UHFFFAOYSA-N
XLogP2.26
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one (CID 63353689) is 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one is CCn1c(C2CC2)c(N)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one?
The InChIKey is JCLRBOIXWHGKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-17-13(9-3-4-9)12(16)14(19)18(17)11-7-5-10(15)6-8-11/h5-9H,2-4,16H2,1H3.
What are the key properties of 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one?
4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one has a molecular weight of 261.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one is sourced from PubChem (CID 63353689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).