3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine

C13H12F5N3 — CID 82692897

IUPAC3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine
SMILESCCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(CC)c1N
InChIInChI=1S/C13H12F5N3/c1-3-5-12(19)6(4-2)21(20-5)13-10(17)8(15)7(14)9(16)11(13)18/h3-4,19H2,1-2H3
InChIKeyNKYNFYHYXXOHTJ-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.27
Rot. Bonds3

About 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine

3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine (PubChem CID 82692897) has the molecular formula C13H12F5N3 and a molecular weight of 305.25 g/mol. Its IUPAC name is 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine
PubChem CID82692897
Molecular FormulaC13H12F5N3
Molecular Weight305.25 g/mol
Exact Mass305.10
IUPAC Name3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine
SMILESCCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(CC)c1N
InChIInChI=1S/C13H12F5N3/c1-3-5-12(19)6(4-2)21(20-5)13-10(17)8(15)7(14)9(16)11(13)18/h3-4,19H2,1-2H3
InChIKeyNKYNFYHYXXOHTJ-UHFFFAOYSA-N
XLogP3.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82703177
1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82702386
2-(4-amino-3,5-diethylpyrazol-1-yl)-6-fluorobenzamide
CID 82703106
3,5-diethyl-1-(5-methyl-2-pyridinyl)pyrazol-4-amine
CID 82702145
1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82702781
1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine
CID 82702759
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146
3-(4-amino-3,5-diethylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 82703182
6-(4-amino-3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 82703257
4-(4-amino-3,5-diethylpyrazol-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 82702709
3,5-diethyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrazol-4-amine
CID 82702865
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-methylbenzenesulfonamide
CID 82692794

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine (CID 82692897) is 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine is CCc1nn(-c2c(F)c(F)c(F)c(F)c2F)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine?
The InChIKey is NKYNFYHYXXOHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5N3/c1-3-5-12(19)6(4-2)21(20-5)13-10(17)8(15)7(14)9(16)11(13)18/h3-4,19H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine?
3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine has a molecular weight of 305.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(2,3,4,5,6-pentafluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 82692897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).