4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one

C14H15Cl2N3O — CID 63353467

IUPAC4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one
SMILESCCn1c(C2CC2)c(N)c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-2-18-13(8-3-4-8)12(17)14(20)19(18)9-5-6-10(15)11(16)7-9/h5-8H,2-4,17H2,1H3
InChIKeyQBXMMHAFGXYWKQ-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.43
Rot. Bonds3

About 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one

4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one (PubChem CID 63353467) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one
PubChem CID63353467
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one
SMILESCCn1c(C2CC2)c(N)c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-2-18-13(8-3-4-8)12(17)14(20)19(18)9-5-6-10(15)11(16)7-9/h5-8H,2-4,17H2,1H3
InChIKeyQBXMMHAFGXYWKQ-UHFFFAOYSA-N
XLogP3.43
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-ethylpyrazol-3-one
CID 63353865
4-amino-5-cyclopropyl-1-ethyl-2-(4-fluorophenyl)pyrazol-3-one
CID 63353689
4-amino-2-(3-bromophenyl)-5-cyclopropyl-1-ethylpyrazol-3-one
CID 63353775
4-amino-2-(3,4-dichlorophenyl)-5-methyl-1-propylpyrazol-3-one
CID 61272535
4-amino-2-(4-bromophenyl)-5-cyclopropyl-1-propylpyrazol-3-one
CID 63353866
4-amino-2-(3,4-dichlorophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61272735
4-amino-2-(3-chloro-4-methylphenyl)-1,5-diethylpyrazol-3-one
CID 61272328
4-amino-2-(4-chlorophenyl)-1-ethyl-5-methylpyrazol-3-one
CID 61271547
4-amino-5-cyclopropyl-1-ethyl-2-(2-methylpropyl)pyrazol-3-one
CID 63353421
1-(4-chloro-3-fluorophenyl)-5-cyclopropyltriazol-4-amine
CID 79507659
[1-(3,4-dichlorophenyl)-2-ethyl-3-methyl-5-oxopyrazol-4-yl] thiocyanate
CID 19989990
4-amino-2-(4-chlorophenyl)-1-ethyl-5-propylpyrazol-3-one
CID 61271739

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one?
The IUPAC name of 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one (CID 63353467) is 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one?
The canonical SMILES for 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one is CCn1c(C2CC2)c(N)c(=O)n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one?
The InChIKey is QBXMMHAFGXYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-2-18-13(8-3-4-8)12(17)14(20)19(18)9-5-6-10(15)11(16)7-9/h5-8H,2-4,17H2,1H3.
What are the key properties of 4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one?
4-amino-5-cyclopropyl-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one has a molecular weight of 312.20 g/mol, XLogP of 3.43, 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-2-(3,4-dichlorophenyl)-1-ethylpyrazol-3-one is sourced from PubChem (CID 63353467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).