2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

C15H18Cl2FN3 — CID 64772421

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCC(C)n1ccc(CC(C)(N)c2cc(F)c(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2FN3/c1-9(2)21-5-4-10(20-21)8-15(3,19)11-6-14(18)13(17)7-12(11)16/h4-7,9H,8,19H2,1-3H3
InChIKeyFKTWJODQTPCPBM-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.33
Rot. Bonds4

About 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (PubChem CID 64772421) has the molecular formula C15H18Cl2FN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
PubChem CID64772421
Molecular FormulaC15H18Cl2FN3
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCC(C)n1ccc(CC(C)(N)c2cc(F)c(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2FN3/c1-9(2)21-5-4-10(20-21)8-15(3,19)11-6-14(18)13(17)7-12(11)16/h4-7,9H,8,19H2,1-3H3
InChIKeyFKTWJODQTPCPBM-UHFFFAOYSA-N
XLogP4.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622766
2-(2-chlorophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785838
2-(2,4-dichloro-5-fluorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 79734748
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347090
2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
CID 60929261
3,5-difluoro-4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]aniline
CID 64772644
1-(1-butan-2-ylpyrazol-3-yl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 64785649
2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64770980
1-(1-butan-2-ylpyrazol-3-yl)-2-(2-methylphenyl)propan-2-amine
CID 64784290
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
CID 131580102

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (CID 64772421) is 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is CC(C)n1ccc(CC(C)(N)c2cc(F)c(Cl)cc2Cl)n1.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is FKTWJODQTPCPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2FN3/c1-9(2)21-5-4-10(20-21)8-15(3,19)11-6-14(18)13(17)7-12(11)16/h4-7,9H,8,19H2,1-3H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 330.23 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 64772421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).