1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine

C16H21ClFN3 — CID 131741305

IUPAC1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1c(-c2c(F)cccc2Cl)c(C)nn1C)C(C)C
InChIInChI=1S/C16H21ClFN3/c1-9(2)15(19-4)16-13(10(3)20-21(16)5)14-11(17)7-6-8-12(14)18/h6-9,15,19H,1-5H3
InChIKeyOXSKAYAEFIYDDC-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.10
Rot. Bonds4

About 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine

1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine (PubChem CID 131741305) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine
PubChem CID131741305
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1c(-c2c(F)cccc2Cl)c(C)nn1C)C(C)C
InChIInChI=1S/C16H21ClFN3/c1-9(2)15(19-4)16-13(10(3)20-21(16)5)14-11(17)7-6-8-12(14)18/h6-9,15,19H,1-5H3
InChIKeyOXSKAYAEFIYDDC-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine (CID 131741305) is 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine is CNC(c1c(-c2c(F)cccc2Cl)c(C)nn1C)C(C)C.
What is the InChIKey of 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is OXSKAYAEFIYDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-9(2)15(19-4)16-13(10(3)20-21(16)5)14-11(17)7-6-8-12(14)18/h6-9,15,19H,1-5H3.
What are the key properties of 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine?
1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 309.82 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-6-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 131741305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).