(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine

C13H14Cl2FN3 — CID 105041728

IUPAC(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1c(F)cccc1Cl
InChIInChI=1S/C13H14Cl2FN3/c1-7(2)19-13(9(15)6-18-19)12(17)11-8(14)4-3-5-10(11)16/h3-7,12H,17H2,1-2H3
InChIKeyWJLZALJSYICTGX-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.96
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine

(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine (PubChem CID 105041728) has the molecular formula C13H14Cl2FN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
PubChem CID105041728
Molecular FormulaC13H14Cl2FN3
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1c(F)cccc1Cl
InChIInChI=1S/C13H14Cl2FN3/c1-7(2)19-13(9(15)6-18-19)12(17)11-8(14)4-3-5-10(11)16/h3-7,12H,17H2,1-2H3
InChIKeyWJLZALJSYICTGX-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041930
(2-chloro-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054549
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 114646818
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114887114
[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336821
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanamine
CID 105041781
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 114658510
(2-bromo-3-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 107985415
[(2-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine (CID 105041728) is (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine is CC(C)n1ncc(Cl)c1C(N)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
The InChIKey is WJLZALJSYICTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2FN3/c1-7(2)19-13(9(15)6-18-19)12(17)11-8(14)4-3-5-10(11)16/h3-7,12H,17H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine?
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine has a molecular weight of 302.18 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105041728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).